N-[(Z)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C31H24N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C31H24N6O4
Smiles	[O-][N+](c1cc(-c(c(/C=C(/C(NCc2cnccc2)=O)\NC(c2ccccc2)=O)c2)nn2-c2ccccc2)ccc1)=O
InChI	InChI=1S/C31H24N6O4/c38-30(23-10-3-1-4-11-23)34-28(31(39)33-20-22-9-8-16-32-19-22)18-25-21-36(26-13-5-2-6-14-26)35-29(25)24-12-7-15-27(17-24)37(40)41/h1-19,21H,20H2,(H,33,39)(H,34,38)
InChIK	RTYQXQJTXUZDIP-UHFFFAOYSA-N
TotalMolweight	544.57
Molweight	544.57
MonoisotopicMass	544.185904
CLogP	3.1297
CLogS	-5.867
H Acceptors	10
H Donors	2
TotalSurfaceArea	419.58
Relative PSA	0.25795
PolarSurfaceArea	134.73
Druglikeness	0.59324
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.39024
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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