Molecule

ID:35657

General Information
Structure
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c1-9(2)5-6-11-8-10-4-3-7-12-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKey
SALRNWVFVBHCQW-UHFFFAOYSA-N
Canonic Smiles
CC(CCNCc1ccco1)C
Isomeric Smiles
c1(occc1)CNCCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7172263
LogD (pH = 7.4)
0.8860263
Log P
2.2027595
Molar Refractivity
50.1191
Polarizability
19.769428
Polar Surface Area
25.17
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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