Molecule

ID:120514

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
InChIKey
RPJUVNYXHUCRMG-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1N)C(C)(C)C
Isomeric Smiles
c1(cc(c(cc1)O)N)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.5783615
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3243287
LogD (pH = 7.4)
2.3846328
Log P
2.3858109
Molar Refractivity
51.4052
Polarizability
19.36561
Polar Surface Area
46.25
Rotatable Bonds
1
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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