Responsive image

Common name

4-bromobenzaldehyde

IUPAC name

4-bromobenzaldehyde

SMILES

Brc1ccc(cc1)C=O

Common name

4-bromobenzaldehyde

IUPAC name

4-bromobenzaldehyde

SMILES

Brc1ccc(cc1)C=O

INCHI

InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H

FORMULA

C7H5BrO

Responsive image

Common name

4-bromobenzaldehyde

IUPAC name

4-bromobenzaldehyde





Molecular weight

185.018

clogP

2.679

clogS

-2.593

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

17.07

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00818 Bromfenac Responsive image Anti-Inflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal; Ophthalmologicals; Sensory Organs; For the treatment of postoperative inflammation in patients who have undergone cataract extraction.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1w6j_ligand_1_0.mol2 1w6j 1 -7.22 c1(ccc(Br)cc1)C=O 9
1h35_ligand_1_0.mol2 1h35 1 -6.96 C(=O)c1ccc(Br)cc1 9
1h37_ligand_1_0.mol2 1h37 1 -6.93 C(=O)c1ccc(Br)cc1 9
1h36_ligand_1_0.mol2 1h36 1 -6.92 c1(ccc(Br)cc1)C=O 9
4mjq_ligand_1_2.mol2 4mjq 1 -6.59 C(=O)c1ccc(cc1)Br 9
3dp2_ligand_1_0.mol2 3dp2 1 -6.55 C(=O)c1ccc(Br)cc1 9
3doz_ligand_1_0.mol2 3doz 0.833333 -6.67 c1c(Br)cccc1C=O 9
4d2w_ligand_1_0.mol2 4d2w 0.794118 -7.13 C(=O)(N)c1ccc(Br)cc1 10
4ngr_ligand_1_9.mol2 4ngr 0.794118 -5.97 c1cc(Br)ccc1C(=O)N 10
102 , 11