(E)-3-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile

Formula:C23H14N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile
MolecularFormula	C23H14N2O4Cl2
Smiles	N#C/C(/C(c1cc([N+]([O-])=O)ccc1)=O)=C\c(cccc1)c1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H14Cl2N2O4/c24-20-9-8-15(10-21(20)25)14-31-22-7-2-1-4-16(22)11-18(13-26)23(28)17-5-3-6-19(12-17)27(29)30/h1-12H,14H2
InChIK	XRXQVUAZHVLAKS-UHFFFAOYSA-N
TotalMolweight	453.28
Molweight	453.28
MonoisotopicMass	452.033062
CLogP	4.7943
CLogS	-7.385
H Acceptors	6
TotalSurfaceArea	335.22
Relative PSA	0.19993
PolarSurfaceArea	95.91
Druglikeness	-8.9528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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