(Z)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C24H15N3O2Cl2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C24H15N3O2Cl2
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2
InChI	InChI=1S/C24H15Cl2N3O2/c25-20-8-5-17(23(26)12-20)14-28-15-19(22-3-1-2-4-24(22)28)11-18(13-27)16-6-9-21(10-7-16)29(30)31/h1-12,15H,14H2
InChIK	JPJCMMSIOMSMOP-UHFFFAOYSA-N
TotalMolweight	448.308
Molweight	448.308
MonoisotopicMass	447.054131
CLogP	5.1527
CLogS	-6.539
H Acceptors	5
TotalSurfaceArea	331.27
Relative PSA	0.1535
PolarSurfaceArea	74.54
Druglikeness	-7.5795
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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