(E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile

Formula:C25H16N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile
MolecularFormula	C25H16N3O3Cl
Smiles	N#C/C(/C(c1cc([N+]([O-])=O)ccc1)=O)=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2
InChI	InChI=1S/C25H16ClN3O3/c26-23-10-3-1-6-18(23)15-28-16-20(22-9-2-4-11-24(22)28)12-19(14-27)25(30)17-7-5-8-21(13-17)29(31)32/h1-13,16H,15H2
InChIK	JXBVIXTZBHCHJN-UHFFFAOYSA-N
TotalMolweight	441.873
Molweight	441.873
MonoisotopicMass	441.088019
CLogP	4.3699
CLogS	-6.286
H Acceptors	6
TotalSurfaceArea	333.6
Relative PSA	0.19152
PolarSurfaceArea	91.61
Druglikeness	-6.6744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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