Molecule

ID:76568

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8,13-14H,7H2,1-3H3
InChIKey
HMBHFDWNPXCSFW-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)(C)Nc2c1cccc2O
Isomeric Smiles
N1c2c(cccc2O)C(CC1(C)C)C
Calculated Properties
JChem
Acid pKa
10.322934
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4079392
LogD (pH = 7.4)
2.6067746
Log P
2.6110866
Molar Refractivity
59.7489
Polarizability
22.3206
Polar Surface Area
32.26
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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