Molecule

ID:87540

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-6-3-4-8-7(5-6)9-2/h3-5H,1-2H3
InChIKey
HGRXBKDKSYDWLD-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1)C
Isomeric Smiles
n1c(cc(cc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6979998
LogD (pH = 7.4)
1.7056822
Log P
1.7057811
Molar Refractivity
35.719
Polarizability
13.711802
Polar Surface Area
22.12
Rotatable Bonds
1
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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