Molecule

ID:129939

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO
Molecular Mass
255.35474
Exact Mass
255.1623143
Charge
0
InChI
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKey
PNYKGCPSFKLFKA-UHFFFAOYSA-N
Canonic Smiles
CNCCOC(c1ccccc1C)c1ccccc1
Isomeric Smiles
O(CCNC)C(c1ccccc1)c1ccccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.58734125
LogD (pH = 7.4)
1.542377
Log P
3.7822807
Molar Refractivity
79.6735
Polarizability
31.324652
Polar Surface Area
21.26
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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