2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chlorophenoxy]acetic acid

Formula:C18H12N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chlorophenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-chlorophenoxy]acetic acid
MolecularFormula	C18H12N3O3Cl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc(Cl)c1OCC(O)=O
InChI	InChI=1S/C18H12ClN3O3/c19-13-8-11(5-6-16(13)25-10-17(23)24)7-12(9-20)18-21-14-3-1-2-4-15(14)22-18/h1-8H,10H2,(H,21,22)(H,23,24)
InChIK	TWDCZCDEONUPMA-UHFFFAOYSA-N
TotalMolweight	353.764
Molweight	353.764
MonoisotopicMass	353.056719
CLogP	2.3173
CLogS	-3.653
H Acceptors	6
H Donors	2
TotalSurfaceArea	265.65
Relative PSA	0.28105
PolarSurfaceArea	99
Druglikeness	-3.1758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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