Molecule

ID:28988

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-14-7-6-8-15(2)17(14)19-12-11-18-13-16-9-4-3-5-10-16/h3-10,18H,11-13H2,1-2H3
InChIKey
ZSLCEAIUVQVPSO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1OCCNCc1ccccc1)C
Isomeric Smiles
c1(c(cccc1C)C)OCCNCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0756906
LogD (pH = 7.4)
2.35509
Log P
4.202487
Molar Refractivity
79.9406
Polarizability
31.23859
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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