N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

Formula:C18H13N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
MolecularFormula	C18H13N4O3Cl
Smiles	O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C18H13ClN4O3/c19-13-7-17-16(25-10-26-17)6-12(13)9-20-23-18(24)15-8-14(21-22-15)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,23,24)
InChIK	OUWZZZOUGSCRTL-UHFFFAOYSA-N
TotalMolweight	368.779
Molweight	368.779
MonoisotopicMass	368.067618
CLogP	3.6168
CLogS	-5.543
H Acceptors	7
H Donors	2
TotalSurfaceArea	270.76
Relative PSA	0.29905
PolarSurfaceArea	88.6
Druglikeness	5.5292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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