Common name
furophanate
Formula
C14H13N3O3S
CAS
53878-17-4
IUPAC name
methyl N-[[[2-[(2-furanylmethylene)amino]phenyl]amino]thioxomethyl]carbamate
SMILES
COC(=NC(=Nc1ccccc1N=Cc1ccco1)S)O
INCHI
InChI=1S/C14H13N3O3S/c1-19-14(18)17-13(21)16-12-7-3-2-6-11(12)15-9-10-5-4-8-20-10/h2-9H,1H3,(H2,16,17,18,21)
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
Num. double bonds:
Num. triple bonds:
Num. heavy atoms:
Num. nitrogen atom:
Num. oxygen atoms:
Num. sulphur atoms :
Num. P atoms:
Num. halogen atoms:
Num. H-bond acc:
Num. H-bond donors:
Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
RPCS:
RNCS:
THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 7
Frac. of Rot. bonds:
AgroPAD
Photostability
Num. arom. bonds:
Num. arom. atoms:
Num. arom. rings:
Num. rings:
Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
QEF:
Gau:
