(2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate

Formula:C10H10N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.

MolName	(2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate
MolecularFormula	C10H10N2O
Smiles	[O-]C(CC1)=N/[N+]1=C/c1ccccc1
InChI	InChI=1S/C10H10N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIK	BKFOLPLGOGKAKR-UHFFFAOYSA-N
TotalMolweight	174.202
Molweight	174.202
MonoisotopicMass	174.079313
CLogP	-0.9655
CLogS	-0.229
H Acceptors	3
TotalSurfaceArea	132.58
Relative PSA	0.1553
PolarSurfaceArea	38.43
Druglikeness	-1.9242
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	13
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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