(E)-N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C26H23N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C26H23N4O4Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc(cc2)cc(Cl)c2N(CC2)CCN2C(c2ccccc2)=O)=O)c1)=O
InChI	InChI=1S/C26H23ClN4O4/c27-23-18-21(28-25(32)12-9-19-5-4-8-22(17-19)31(34)35)10-11-24(23)29-13-15-30(16-14-29)26(33)20-6-2-1-3-7-20/h1-12,17-18H,13-16H2,(H,28,32)
InChIK	AQVDGWYRXTWODO-UHFFFAOYSA-N
TotalMolweight	490.946
Molweight	490.946
MonoisotopicMass	490.140783
CLogP	4.0996
CLogS	-5.751
H Acceptors	8
H Donors	1
TotalSurfaceArea	367.47
Relative PSA	0.20426
PolarSurfaceArea	98.47
Druglikeness	0.61791
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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