Molecule

ID:85545

General Information
Structure
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-12(2)8-10-7-9-5-3-4-6-11(9)13-10/h3-7H,8H2,1-2H3
InChIKey
ICRJVJSYODYAAS-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc2c(o1)cccc2)C
Isomeric Smiles
o1c(cc2c1cccc2)CN(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0839142
LogD (pH = 7.4)
0.59663653
Log P
1.9937671
Molar Refractivity
53.3193
Polarizability
21.818214
Polar Surface Area
16.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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