Molecule

ID:13985

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄ClNO
Molecular Mass
245.78876
Exact Mass
245.15464207
Charge
0
InChI
InChI=1S/C13H23NO.ClH/c1-2-11(14)12-4-9-3-10(5-12)7-13(15,6-9)8-12;/h9-11,15H,2-8,14H2,1H3;1H
InChIKey
RHYDWWORMNUPCI-UHFFFAOYSA-N
Canonic Smiles
CCC(C12CC3CC(C1)CC(C2)(C3)O)N.Cl
Isomeric Smiles
C12(CC3CC(C1)(CC(C2)C3)C(CC)N)O.Cl
Calculated Properties
JChem
Acid pKa
14.744046
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5903249
LogD (pH = 7.4)
-0.96137065
Log P
1.4243209
Molar Refractivity
60.7282
Polarizability
24.635843
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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