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

Formula:C10H8N2OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.

MolName	(2E)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
MolecularFormula	C10H8N2OCl2
Smiles	[O-]C(CC1)=N/[N+]1=C/c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C10H8Cl2N2O/c11-8-2-1-7(5-9(8)12)6-14-4-3-10(15)13-14/h1-2,5-6H,3-4H2
InChIK	LMPZWYJEHZUASK-UHFFFAOYSA-N
TotalMolweight	243.093
Molweight	243.093
MonoisotopicMass	242.001367
CLogP	0.2465
CLogS	-1.701
H Acceptors	3
TotalSurfaceArea	163.42
Relative PSA	0.12599
PolarSurfaceArea	38.43
Druglikeness	-1.758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
StereoCon

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