Molecule

ID:34448

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-3-10-7(2)9-6-8(12)4-5-11(9)13-10/h4-6H,3,12H2,1-2H3
InChIKey
RJLMPRDYQYURGU-UHFFFAOYSA-N
Canonic Smiles
CCc1oc2c(c1C)cc(cc2)N
Isomeric Smiles
c12ccc(cc1c(c(o2)CC)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5342112
LogD (pH = 7.4)
2.5388885
Log P
2.5389483
Molar Refractivity
54.3144
Polarizability
21.244484
Polar Surface Area
39.16
Rotatable Bonds
1
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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