4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid

Formula:C24H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H17N3O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cccc1)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C24H17N3O3/c25-14-19(23-26-20-6-2-3-7-21(20)27-23)13-18-5-1-4-8-22(18)30-15-16-9-11-17(12-10-16)24(28)29/h1-13H,15H2,(H,26,27)(H,28,29)
InChIK	BARZEUZZDZIXSI-UHFFFAOYSA-N
TotalMolweight	395.417
Molweight	395.417
MonoisotopicMass	395.126992
CLogP	3.4845
CLogS	-4.478
H Acceptors	6
H Donors	2
TotalSurfaceArea	309.99
Relative PSA	0.24085
PolarSurfaceArea	99
Druglikeness	-3.7935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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