N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide

Formula:C23H16N4OClF Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
MolecularFormula	C23H16N4OClF
Smiles	O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H16ClFN4O/c24-18-5-2-6-19(25)17(18)12-26-29-23(30)21-11-20(27-28-21)15-10-9-14-8-7-13-3-1-4-16(15)22(13)14/h1-6,9-12H,7-8H2,(H,27,28)(H,29,30)
InChIK	IWXCIQWHKUFDFI-UHFFFAOYSA-N
TotalMolweight	418.858
Molweight	418.858
MonoisotopicMass	418.099666
CLogP	5.2734
CLogS	-7.304
H Acceptors	5
H Donors	2
TotalSurfaceArea	305.47
Relative PSA	0.19959
PolarSurfaceArea	70.14
Druglikeness	3.1695
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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