(2Z)-2-(3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene)-1-phenylethanone

Formula:C15H18N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene)-1-phenylethanone is a drug-like molecule.

MolName	(2Z)-2-(3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene)-1-phenylethanone
MolecularFormula	C15H18N2O2
Smiles	ON(C(CCCC1)C1N1)/C1=C\C(c1ccccc1)=O
InChI	InChI=1S/C15H18N2O2/c18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17(15)19/h1-3,6-7,10,12-13,16,19H,4-5,8-9H2
InChIK	AUFUNIYUXHBZRI-UHFFFAOYSA-N
TotalMolweight	258.32
Molweight	258.32
MonoisotopicMass	258.136828
CLogP	1.5939
CLogS	-4.568
H Acceptors	4
H Donors	2
TotalSurfaceArea	196.87
Relative PSA	0.20902
PolarSurfaceArea	52.57
Druglikeness	-3.19
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
StereoCon	unknown chirality

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1 - (2Z)-2-(3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene)-1-phenylethanone | 2 - (2Z)-2-(3-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene)-1-phenylethanone

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