Molecule

ID:12983

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO
Molecular Mass
233.77806
Exact Mass
233.15464207
Charge
0
InChI
InChI=1S/C12H23NO.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h11-13H,1-10H2;1H
InChIKey
JCIYUSYZMWUGCX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNCC1CCCO1.Cl
Isomeric Smiles
C1CC(OC1)CNCC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8898382
LogD (pH = 7.4)
-0.38905576
Log P
2.3399937
Molar Refractivity
58.6931
Polarizability
23.599113
Polar Surface Area
21.26
Rotatable Bonds
4
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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