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

Formula:C23H16N4OCl2 Mutagenic:low Tumorigenic:high Reproductive Effective:low N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
MolecularFormula	C23H16N4OCl2
Smiles	O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C23H16Cl2N4O/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	GJAICNQWBGGJOL-UHFFFAOYSA-N
TotalMolweight	435.313
Molweight	435.313
MonoisotopicMass	434.070115
CLogP	5.7786
CLogS	-7.726
H Acceptors	5
H Donors	2
TotalSurfaceArea	314.54
Relative PSA	0.19384
PolarSurfaceArea	70.14
Druglikeness	4.5095
Mutagenic	low
Tumorigenic	high
Reproductive Effective	low
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
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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