Molecule

ID:130355

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKey
IZRPKIZLIFYYKR-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccccc1Cc1ccccc1)C
Isomeric Smiles
O(c1ccccc1Cc1ccccc1)CCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8517679
LogD (pH = 7.4)
2.5341258
Log P
3.926013
Molar Refractivity
80.2775
Polarizability
31.318972
Polar Surface Area
12.47
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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