Molecule

ID:29423

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-14(2)13-19-17-10-6-9-16(11-17)18-12-15-7-4-3-5-8-15/h6,9-11,14-15,18H,3-5,7-8,12-13H2,1-2H3
InChIKey
VZQVOBHPCJXQCM-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)NCC1CCCCC1)C
Isomeric Smiles
N(c1cc(OCC(C)C)ccc1)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.57585
LogD (pH = 7.4)
4.6459675
Log P
4.6469393
Molar Refractivity
82.2042
Polarizability
31.701815
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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