(2-cyanophenyl)methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Formula:C29H17N4O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (2-cyanophenyl)methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is not a drug-like molecule.

MolName	(2-cyanophenyl)methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
MolecularFormula	C29H17N4O3Cl
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc2)cc(C(OCc(cccc3)c3C#N)=O)c2Cl)o1
InChI	InChI=1S/C29H17ClN4O3/c30-24-11-9-18(14-23(24)29(35)36-17-20-6-2-1-5-19(20)15-31)27-12-10-22(37-27)13-21(16-32)28-33-25-7-3-4-8-26(25)34-28/h1-14H,17H2,(H,33,34)
InChIK	ZJFYWLNKAUVIAD-UHFFFAOYSA-N
TotalMolweight	504.932
Molweight	504.932
MonoisotopicMass	504.098918
CLogP	5.5333
CLogS	-7.557
H Acceptors	7
H Donors	1
TotalSurfaceArea	390.22
Relative PSA	0.22867
PolarSurfaceArea	115.7
Druglikeness	-2.4567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - (2-cyanophenyl)methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate | 2 - (2-cyanophenyl)methyl 5-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

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