Molecule

ID:76855

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
InChIKey
BXGYBSJAZFGIPX-UHFFFAOYSA-N
Canonic Smiles
OCCc1ccccn1
Isomeric Smiles
n1c(cccc1)CCO
Calculated Properties
JChem
Acid pKa
15.683945
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11519312
LogD (pH = 7.4)
0.3036269
Log P
0.30670825
Molar Refractivity
34.8942
Polarizability
13.6509075
Polar Surface Area
33.12
Rotatable Bonds
2
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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