Molecule

ID:46311

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀ClNO
Molecular Mass
275.8578
Exact Mass
275.20159227
Charge
0
InChI
InChI=1S/C15H29NO.ClH/c1-2-4-14(5-3-1)8-12-17-13-9-15-6-10-16-11-7-15;/h14-16H,1-13H2;1H
InChIKey
ZBILJPLMIJUQOO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCCC2CCCCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.15516424
LogD (pH = 7.4)
0.3012256
Log P
3.0764215
Molar Refractivity
73.0879
Polarizability
29.13433
Polar Surface Area
21.26
Rotatable Bonds
6
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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