Molecule

ID:46348

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO
Molecular Mass
233.77806
Exact Mass
233.15464207
Charge
0
InChI
InChI=1S/C12H23NO.ClH/c1-2-3-4-9-14-10-7-12-6-5-8-13-11-12;/h2,12-13H,1,3-11H2;1H
InChIKey
HROQHSXOBMGSSN-UHFFFAOYSA-N
Canonic Smiles
C=CCCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCCC=C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0963657
LogD (pH = 7.4)
-0.7203228
Log P
2.1379566
Molar Refractivity
61.1066
Polarizability
24.098257
Polar Surface Area
21.26
Rotatable Bonds
7
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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