Responsive image

Common name


phenol

IUPAC name


phenol

SMILES


c1ccc(cc1)O

Common name


phenol

IUPAC name


phenol

SMILES


c1ccc(cc1)O

INCHI


InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

FORMULA


C6H6O

Responsive image

Common name


phenol

IUPAC name


phenol





Molecular weight


94.111

clogP


1.498

clogS


-0.975

Frequency


0.0897





HBond Acceptor


1

HBond Donor


1

Total Polar
Surface Area


20.23

Number of Rings


1

Rotatable Bond


0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02258 deltamethrin Responsive image Insecticide Insecticide
FDBD02265 fenpirithrin Responsive image Insecticide Insecticide
FDBD02266 fenpropathrin Responsive image Insecticide Insecticide
FDBD02267 fenvalerate Responsive image Insecticide Insecticide
FDBD02268 esfenvalerate Responsive image Insecticide Insecticide
FDBD02269 flucythrinate Responsive image Insecticide Insecticide
FDBD02270 tau-fluvalinate Responsive image Insecticide Insecticide
FDBD02283 permethrin Responsive image Insecticide Insecticide
FDBD02284 biopermethrin Responsive image Insecticide Insecticide
FDBD02285 transpermethrin Responsive image Insecticide Insecticide
261 , 27
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4wr8_ligand_frag_0.mol2 4wr8 1 -7.04 c1(ccccc1)O 7
4i7l_ligand_frag_0.mol2 4i7l 1 -7.03 c1(ccccc1)O 7
4i7l_ligand.mol2 4i7l 1 -7.03 c1(ccccc1)O 8
1mfi_ligand_frag_0.mol2 1mfi 1 -7.02 c1ccc(cc1)O 7
4wrb_ligand_frag_0.mol2 4wrb 1 -7.00 c1(ccccc1)O 7
1ljt_ligand_frag_3.mol2 1ljt 1 -6.98 c1cc(ccc1)O 7
2ra6_ligand_frag_1.mol2 2ra6 1 -6.98 c1ccc(cc1)O 7
2ooz_ligand_frag_0.mol2 2ooz 1 -6.97 c1(ccccc1)O 7
1li2_ligand_frag_0.mol2 1li2 1 -6.94 c1(ccccc1)O 7
1122 , 113