Molecule

ID:46313

General Information
Structure
Molecular Formula
C₁₅H₃₀ClNO
Molecular Mass
275.8578
Exact Mass
275.20159227
Charge
0
InChI
InChI=1S/C15H29NO.ClH/c1-2-6-14(7-3-1)9-12-17-13-10-15-8-4-5-11-16-15;/h14-16H,1-13H2;1H
InChIKey
ZDWDARDFUFOHRF-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCCC2CCCCC2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.020427877
LogD (pH = 7.4)
0.43651474
Log P
3.211137
Molar Refractivity
72.8375
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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