Molecule

ID:89553

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-2-10-7-6(9)4-3-5-8-7/h3-5,9H,2H2,1H3
InChIKey
XTGGQAFOLDDVQD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ncccc1O
Isomeric Smiles
O(c1c(cccn1)O)CC
Calculated Properties
JChem
Acid pKa
9.204142
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2433511
LogD (pH = 7.4)
1.2389333
Log P
1.2456023
Molar Refractivity
37.4073
Polarizability
14.410051
Polar Surface Area
42.35
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
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References
Bioactivity
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