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

Formula:C25H15N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile
MolecularFormula	C25H15N3O3Cl2
Smiles	N#C/C(/C(c1cc([N+]([O-])=O)ccc1)=O)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2
InChI	InChI=1S/C25H15Cl2N3O3/c26-20-9-8-17(23(27)12-20)14-29-15-19(22-6-1-2-7-24(22)29)10-18(13-28)25(31)16-4-3-5-21(11-16)30(32)33/h1-12,15H,14H2
InChIK	XZGHREKXAOSBHC-UHFFFAOYSA-N
TotalMolweight	476.318
Molweight	476.318
MonoisotopicMass	475.049046
CLogP	4.9759
CLogS	-7.022
H Acceptors	6
TotalSurfaceArea	349.02
Relative PSA	0.18306
PolarSurfaceArea	91.61
Druglikeness	-6.6744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
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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1 - (E)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile | 2 - (E)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile

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