benzhydrylidene(hydroxy)azanium chloride

C13H12ClNO — CID 11333769

IUPACbenzhydrylidene(hydroxy)azanium chloride
SMILESO[NH+]=C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H11NO.ClH/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,15H;1H
InChIKeyINCOUIXUOUPCCU-UHFFFAOYSA-N
MW233.70 g/mol
LogP-2.00
Rot. Bonds2

About benzhydrylidene(hydroxy)azanium chloride

benzhydrylidene(hydroxy)azanium chloride (PubChem CID 11333769) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is benzhydrylidene(hydroxy)azanium chloride.

Molecular Properties

Compound Namebenzhydrylidene(hydroxy)azanium chloride
PubChem CID11333769
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Namebenzhydrylidene(hydroxy)azanium chloride
SMILESO[NH+]=C(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H11NO.ClH/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,15H;1H
InChIKeyINCOUIXUOUPCCU-UHFFFAOYSA-N
XLogP-2.00
TPSA34.20 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 12505640
CID 12505640
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
1-phenylethanone;bis(yttrium)
CID 58212087
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
1,3-diphenylpropane-1,3-dithione
CID 23346868
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796

Frequently Asked Questions

What is the IUPAC name of benzhydrylidene(hydroxy)azanium chloride?
The IUPAC name of benzhydrylidene(hydroxy)azanium chloride (CID 11333769) is benzhydrylidene(hydroxy)azanium chloride.
What is the SMILES notation for benzhydrylidene(hydroxy)azanium chloride?
The canonical SMILES for benzhydrylidene(hydroxy)azanium chloride is O[NH+]=C(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of benzhydrylidene(hydroxy)azanium chloride?
The InChIKey is INCOUIXUOUPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.ClH/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,15H;1H.
What are the key properties of benzhydrylidene(hydroxy)azanium chloride?
benzhydrylidene(hydroxy)azanium chloride has a molecular weight of 233.70 g/mol, XLogP of -2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidene(hydroxy)azanium chloride is sourced from PubChem (CID 11333769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).