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

Formula:C26H24N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C26H24N4O4
Smiles	[O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2N(CC2)CCN2C(c2ccccc2)=O)=O)ccc1)=O
InChI	InChI=1S/C26H24N4O4/c31-25(14-9-20-5-4-8-24(19-20)30(33)34)27-22-10-12-23(13-11-22)28-15-17-29(18-16-28)26(32)21-6-2-1-3-7-21/h1-14,19H,15-18H2,(H,27,31)
InChIK	VLOFOIYQYNZMEA-UHFFFAOYSA-N
TotalMolweight	456.501
Molweight	456.501
MonoisotopicMass	456.179756
CLogP	3.4936
CLogS	-5.015
H Acceptors	8
H Donors	1
TotalSurfaceArea	352.05
Relative PSA	0.21321
PolarSurfaceArea	98.47
Druglikeness	0.59352
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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