Molecule

ID:13971

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
GXIWMXAAPLZOBY-UHFFFAOYSA-N
Canonic Smiles
OCCNC(c1ccccc1)C
Isomeric Smiles
c1(C(NCCO)C)ccccc1
Calculated Properties
JChem
Acid pKa
15.601161
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8707119
LogD (pH = 7.4)
-0.5974458
Log P
1.2580676
Molar Refractivity
50.0171
Polarizability
19.854809
Polar Surface Area
32.26
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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