Molecule

ID:101156

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6,11H2,1-2H3
InChIKey
LMTIGABGABPAGU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1OC(C2)(C)C
Isomeric Smiles
c12OC(Cc1cccc2N)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.682263
LogD (pH = 7.4)
1.7231417
Log P
1.7236888
Molar Refractivity
49.5882
Polarizability
18.705446
Polar Surface Area
35.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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