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

Formula:C17H13N4O2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(4-chlorophenyl)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C17H13N4O2Cl
Smiles	O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\C=C\c1ccco1
InChI	InChI=1S/C17H13ClN4O2/c18-13-7-5-12(6-8-13)15-11-16(21-20-15)17(23)22-19-9-1-3-14-4-2-10-24-14/h1-11H,(H,20,21)(H,22,23)
InChIK	IVSHBDIIAXONPN-UHFFFAOYSA-N
TotalMolweight	340.769
Molweight	340.769
MonoisotopicMass	340.072703
CLogP	2.7124
CLogS	-4.806
H Acceptors	6
H Donors	2
TotalSurfaceArea	266.69
Relative PSA	0.28153
PolarSurfaceArea	83.28
Druglikeness	5.2571
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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