Molecule

ID:29632

General Information
Structure
Molecular Formula
C₁₈H₂₉NO
Molecular Mass
275.42896
Exact Mass
275.22491455
Charge
0
InChI
InChI=1S/C18H29NO/c1-2-3-14-19-17-9-11-18(12-10-17)20-15-13-16-7-5-4-6-8-16/h9-12,16,19H,2-8,13-15H2,1H3
InChIKey
ZUKJWFCXUUWBRJ-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1ccc(cc1)OCCC1CCCCC1
Isomeric Smiles
c1(NCCCC)ccc(cc1)OCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4396777
LogD (pH = 7.4)
5.074231
Log P
5.0931497
Molar Refractivity
87.0116
Polarizability
33.546696
Polar Surface Area
21.26
Rotatable Bonds
8
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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