(2E)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

Formula:C10H9N2OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.

MolName	(2E)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
MolecularFormula	C10H9N2OCl
Smiles	[O-]C(CC1)=N/[N+]1=C/c(cc1)ccc1Cl
InChI	InChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2
InChIK	BQQZODRIJDCCPY-UHFFFAOYSA-N
TotalMolweight	208.647
Molweight	208.647
MonoisotopicMass	208.04034
CLogP	-0.3595
CLogS	-0.965
H Acceptors	3
TotalSurfaceArea	148
Relative PSA	0.13912
PolarSurfaceArea	38.43
Druglikeness	-1.758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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