Molecule

ID:29438

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉N
Molecular Mass
247.41886
Exact Mass
247.22999993
Charge
0
InChI
InChI=1S/C17H29N/c1-4-5-6-7-8-11-14-18-17-13-10-9-12-16(17)15(2)3/h9-10,12-13,15,18H,4-8,11,14H2,1-3H3
InChIKey
AZBLBWIXKCRXMF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNc1ccccc1C(C)C
Isomeric Smiles
c1(c(NCCCCCCCC)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7342443
LogD (pH = 7.4)
5.7924123
Log P
5.7932067
Molar Refractivity
82.7202
Polarizability
31.730953
Polar Surface Area
12.03
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
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References
Bioactivity
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