3,5-dinitro-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide

Formula:C22H15N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3,5-dinitro-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide is a drug-like molecule.

MolName	3,5-dinitro-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzamide
MolecularFormula	C22H15N3O6
Smiles	[O-][N+](c1cc(C(Nc2ccc(/C=C/C(c3ccccc3)=O)cc2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C22H15N3O6/c26-21(16-4-2-1-3-5-16)11-8-15-6-9-18(10-7-15)23-22(27)17-12-19(24(28)29)14-20(13-17)25(30)31/h1-14H,(H,23,27)
InChIK	XCGYPTHBWPRXIY-UHFFFAOYSA-N
TotalMolweight	417.376
Molweight	417.376
MonoisotopicMass	417.096087
CLogP	2.6081
CLogS	-6.272
H Acceptors	9
H Donors	1
TotalSurfaceArea	313.58
Relative PSA	0.31373
PolarSurfaceArea	137.81
Druglikeness	-3.1197
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	9
Amides	1
AcidicOxygens	2
StereoCon

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