cyanomethyl 5-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Formula:C23H13N4O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high cyanomethyl 5-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is a drug-like molecule.

MolName	cyanomethyl 5-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
MolecularFormula	C23H13N4O3Cl
Smiles	N#CCOC(c(cc(cc1)-c2ccc(/C=C(\c3nc(cccc4)c4[nH]3)/C#N)o2)c1Cl)=O
InChI	InChI=1S/C23H13ClN4O3/c24-18-7-5-14(12-17(18)23(29)30-10-9-25)21-8-6-16(31-21)11-15(13-26)22-27-19-3-1-2-4-20(19)28-22/h1-8,11-12H,10H2,(H,27,28)
InChIK	QDGQGEINNPZBFC-UHFFFAOYSA-N
TotalMolweight	428.834
Molweight	428.834
MonoisotopicMass	428.067618
CLogP	3.9315
CLogS	-5.909
H Acceptors	7
H Donors	1
TotalSurfaceArea	330.46
Relative PSA	0.27002
PolarSurfaceArea	115.7
Druglikeness	-2.4567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - cyanomethyl 5-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate | 2 - cyanomethyl 5-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

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