3-(2,5-dichlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C19H14N4OCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-(2,5-dichlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(2,5-dichlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C19H14N4OCl2
Smiles	O=C(c1cc(-c(cc(cc2)Cl)c2Cl)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C19H14Cl2N4O/c20-14-8-9-16(21)15(11-14)17-12-18(24-23-17)19(26)25-22-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,23,24)(H,25,26)
InChIK	PXLRXQPXQRHEAD-UHFFFAOYSA-N
TotalMolweight	385.253
Molweight	385.253
MonoisotopicMass	384.054465
CLogP	4.1297
CLogS	-5.86
H Acceptors	5
H Donors	2
TotalSurfaceArea	292.42
Relative PSA	0.2085
PolarSurfaceArea	70.14
Druglikeness	5.6552
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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