Molecule

ID:46059

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-16(2,3)12-17(4,5)13-6-8-14(9-7-13)19-15-10-18-11-15/h6-9,15,18H,10-12H2,1-5H3
InChIKey
AMQAEMXSVAJUQV-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1ccc(cc1)OC1CNC1)(C)C)(C)C
Isomeric Smiles
C(c1ccc(OC2CNC2)cc1)(CC(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.503186
LogD (pH = 7.4)
3.1492856
Log P
4.360673
Molar Refractivity
79.8384
Polarizability
32.018787
Polar Surface Area
21.26
Rotatable Bonds
5
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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