Molecule

ID:112036

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₃N
Molecular Mass
227.42922
Exact Mass
227.26130006
Charge
0
InChI
InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
QKVUSSUOYHTOFQ-UHFFFAOYSA-N
Canonic Smiles
CC(CCN(CCC(C)C)CCC(C)C)C
Isomeric Smiles
CC(C)CCN(CCC(C)C)CCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5265777
LogD (pH = 7.4)
1.8066982
Log P
5.022924
Molar Refractivity
75.2547
Polarizability
29.96544
Polar Surface Area
3.24
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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