3-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Formula:C18H13N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C18H13N4O3F
Smiles	O=C(c1cc(-c(cc2)cc3c2OCO3)n[nH]1)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C18H13FN4O3/c19-13-4-1-11(2-5-13)9-20-23-18(24)15-8-14(21-22-15)12-3-6-16-17(7-12)26-10-25-16/h1-9H,10H2,(H,21,22)(H,23,24)
InChIK	IVFBUBVFLGTTPX-UHFFFAOYSA-N
TotalMolweight	352.324
Molweight	352.324
MonoisotopicMass	352.097169
CLogP	3.1116
CLogS	-5.121
H Acceptors	7
H Donors	2
TotalSurfaceArea	261.69
Relative PSA	0.30941
PolarSurfaceArea	88.6
Druglikeness	4.1554
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
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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