Molecule

ID:57326

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8H,2-3,7,11H2,1H3
InChIKey
ZIZHOYOBASUITD-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)N
Isomeric Smiles
c1c(N)cccc1OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2947412
LogD (pH = 7.4)
2.310345
Log P
2.3105476
Molar Refractivity
51.0952
Polarizability
19.520033
Polar Surface Area
35.25
Rotatable Bonds
4
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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