Molecule

ID:105434

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKey
BXKDSDJJOVIHMX-UHFFFAOYSA-N
Canonic Smiles
CC[N+](c1cccc(c1)O)(C)C.[Cl-]
Isomeric Smiles
[Cl-].CC[N+](C)(C)c1cccc(O)c1
Calculated Properties
JChem
Acid pKa
8.5937195
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8696398
LogD (pH = 7.4)
-0.9596521
Log P
-1.9138073
Molar Refractivity
62.4088
Polarizability
19.740566
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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