3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

Formula:C25H20N4O Mutagenic:low Tumorigenic:high Reproductive Effective:none 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
MolecularFormula	C25H20N4O
Smiles	O=C(c1cc(-c2ccc(CC3)c4c3cccc24)n[nH]1)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C25H20N4O/c30-25(29-26-15-5-8-17-6-2-1-3-7-17)23-16-22(27-28-23)20-14-13-19-12-11-18-9-4-10-21(20)24(18)19/h1-10,13-16H,11-12H2,(H,27,28)(H,29,30)
InChIK	XYKMLQFAUOEPQC-UHFFFAOYSA-N
TotalMolweight	392.461
Molweight	392.461
MonoisotopicMass	392.163711
CLogP	4.5849
CLogS	-6.546
H Acceptors	5
H Donors	2
TotalSurfaceArea	310.2
Relative PSA	0.19655
PolarSurfaceArea	70.14
Druglikeness	4.4834
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide | 2 - 3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide

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