Molecule

ID:51567

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₃
Molecular Mass
155.15126
Exact Mass
155.05824315
Charge
0
InChI
InChI=1S/C7H9NO3/c9-4-5-11-7-6(10)2-1-3-8-7/h1-3,9-10H,4-5H2
InChIKey
MVFZTRNUKZYPJH-UHFFFAOYSA-N
Canonic Smiles
OCCOc1ncccc1O
Isomeric Smiles
c1cnc(c(c1)O)OCCO
Calculated Properties
JChem
Acid pKa
9.194064
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.1965619
LogD (pH = 7.4)
0.1918715
Log P
0.19869232
Molar Refractivity
38.951
Polarizability
15.071484
Polar Surface Area
62.58
Rotatable Bonds
3
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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