N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Formula:C14H12N4OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
MolecularFormula	C14H12N4OBrF
Smiles	O=C(c1n[nH]c2c1CCC2)N/N=C\c(cc(cc1)Br)c1F
InChI	InChI=1S/C14H12BrFN4O/c15-9-4-5-11(16)8(6-9)7-17-20-14(21)13-10-2-1-3-12(10)18-19-13/h4-7H,1-3H2,(H,18,19)(H,20,21)
InChIK	DAIPIGIBJQFESM-UHFFFAOYSA-N
TotalMolweight	351.178
Molweight	351.178
MonoisotopicMass	350.01785
CLogP	2.844
CLogS	-4.312
H Acceptors	5
H Donors	2
TotalSurfaceArea	228.08
Relative PSA	0.26732
PolarSurfaceArea	70.14
Druglikeness	0.35463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon

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