3-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C19H14N5O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C19H14N5O3Cl
Smiles	[O-][N+](c1c(/C=C/C=N\NC(c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)cccc1)=O
InChI	InChI=1S/C19H14ClN5O3/c20-15-9-7-13(8-10-15)16-12-17(23-22-16)19(26)24-21-11-3-5-14-4-1-2-6-18(14)25(27)28/h1-12H,(H,22,23)(H,24,26)
InChIK	KZZLXKQQESCWTQ-UHFFFAOYSA-N
TotalMolweight	395.805
Molweight	395.805
MonoisotopicMass	395.078517
CLogP	2.6021
CLogS	-5.584
H Acceptors	8
H Donors	2
TotalSurfaceArea	300.67
Relative PSA	0.30395
PolarSurfaceArea	115.96
Druglikeness	0.56046
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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