Molecule

ID:90930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3
InChIKey
PDVDINPEWGXOHX-UHFFFAOYSA-N
Canonic Smiles
Cc1oc2c(n1)cc(c(c2)C)C
Isomeric Smiles
o1c2c(cc(c(c2)C)C)nc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4697201
LogD (pH = 7.4)
2.4697723
Log P
2.4697728
Molar Refractivity
47.2462
Polarizability
19.13306
Polar Surface Area
26.03
Rotatable Bonds
0
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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