N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

Formula:C23H17N4OBr Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
MolecularFormula	C23H17N4OBr
Smiles	O=C(c1cc(-c2cccc3ccccc23)n[nH]1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C23H17BrN4O/c24-18(13-16-7-2-1-3-8-16)15-25-28-23(29)22-14-21(26-27-22)20-12-6-10-17-9-4-5-11-19(17)20/h1-15H,(H,26,27)(H,28,29)
InChIK	IEIDUDKYLCIOTK-UHFFFAOYSA-N
TotalMolweight	445.319
Molweight	445.319
MonoisotopicMass	444.058572
CLogP	4.7047
CLogS	-6.827
H Acceptors	5
H Donors	2
TotalSurfaceArea	313.02
Relative PSA	0.19478
PolarSurfaceArea	70.14
Druglikeness	0.26209
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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