benzyl 3-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate

Formula:C28H19N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none benzyl 3-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate is not a drug-like molecule.

MolName	benzyl 3-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate
MolecularFormula	C28H19N3O3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(-c2cccc(C(OCc3ccccc3)=O)c2)o1
InChI	InChI=1S/C28H19N3O3/c29-17-22(27-30-24-11-4-5-12-25(24)31-27)16-23-13-14-26(34-23)20-9-6-10-21(15-20)28(32)33-18-19-7-2-1-3-8-19/h1-16H,18H2,(H,30,31)
InChIK	OMMICWUCVGNLML-UHFFFAOYSA-N
TotalMolweight	445.477
Molweight	445.477
MonoisotopicMass	445.142642
CLogP	5.0917
CLogS	-6.048
H Acceptors	6
H Donors	1
TotalSurfaceArea	353.09
Relative PSA	0.21431
PolarSurfaceArea	91.91
Druglikeness	-2.5455
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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