Molecule

ID:66919

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO
Molecular Mass
121.13658
Exact Mass
121.05276385
Charge
0
InChI
InChI=1S/C7H7NO/c1-6-2-3-8-7(4-6)5-9/h2-5H,1H3
InChIKey
UAKMHSRHDUBNJR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C=O)ncc1
Isomeric Smiles
c1(cc(ccn1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6306988
LogD (pH = 7.4)
1.6557112
Log P
1.6560402
Molar Refractivity
35.1411
Polarizability
13.090586
Polar Surface Area
29.96
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
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References
Bioactivity
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