N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Formula:C24H17N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C24H17N4O3F
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1F
InChI	InChI=1S/C24H17FN4O3/c25-19-9-6-16(7-10-19)23-18(14-29(28-23)20-4-2-1-3-5-20)13-26-27-24(30)17-8-11-21-22(12-17)32-15-31-21/h1-14H,15H2,(H,27,30)
InChIK	HTWSFNKBFGMYRT-UHFFFAOYSA-N
TotalMolweight	428.422
Molweight	428.422
MonoisotopicMass	428.128469
CLogP	4.3328
CLogS	-6.259
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.08
Relative PSA	0.23
PolarSurfaceArea	77.74
Druglikeness	4.3967
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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