Molecule

ID:35817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO
Molecular Mass
203.70902
Exact Mass
203.10769188
Charge
0
InChI
InChI=1S/C10H17NO.ClH/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;/h6-9,12H,1-5,11H2;1H
InChIKey
KWEPNQFVPHYHHO-UHFFFAOYSA-N
Canonic Smiles
NC1C2CC3CC1CC(C2)(C3)O.Cl
Isomeric Smiles
C12CC3(CC(C1)C(C(C2)C3)N)O.Cl
Calculated Properties
JChem
Acid pKa
14.750348
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7894106
LogD (pH = 7.4)
-2.3862374
Log P
0.23513648
Molar Refractivity
47.0511
Polarizability
19.106407
Polar Surface Area
46.25
Rotatable Bonds
0
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
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References
Bioactivity
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