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

Formula:C21H14N4O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
MolecularFormula	C21H14N4O2Cl2
Smiles	O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C21H14Cl2N4O2/c22-16-8-4-7-15(20(16)23)19-10-9-14(29-19)12-24-27-21(28)18-11-17(25-26-18)13-5-2-1-3-6-13/h1-12H,(H,25,26)(H,27,28)
InChIK	UCFCFLQEQNNIEZ-UHFFFAOYSA-N
TotalMolweight	425.274
Molweight	425.274
MonoisotopicMass	424.04938
CLogP	5.0503
CLogS	-7.028
H Acceptors	6
H Donors	2
TotalSurfaceArea	315.37
Relative PSA	0.23807
PolarSurfaceArea	83.28
Druglikeness	7.3687
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	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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