4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-hydroxybenzoic acid

Formula:C21H13N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-hydroxybenzoic acid is a drug-like molecule.

MolName	4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-hydroxybenzoic acid
MolecularFormula	C21H13N3O4
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc2)cc(O)c2C(O)=O)o1
InChI	InChI=1S/C21H13N3O4/c22-11-13(20-23-16-3-1-2-4-17(16)24-20)9-14-6-8-19(28-14)12-5-7-15(21(26)27)18(25)10-12/h1-10,25H,(H,23,24)(H,26,27)
InChIK	ODZYDRYHXLUHFV-UHFFFAOYSA-N
TotalMolweight	371.351
Molweight	371.351
MonoisotopicMass	371.090607
CLogP	2.7296
CLogS	-4.301
H Acceptors	7
H Donors	3
TotalSurfaceArea	282.27
Relative PSA	0.32547
PolarSurfaceArea	123.14
Druglikeness	-2.443
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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