Molecule

ID:86399

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₃
Molecular Mass
155.15126
Exact Mass
155.05824315
Charge
0
InChI
InChI=1S/C7H9NO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4,8H2,1H3
InChIKey
VVDCGFAGWLPKAT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccoc1CN
Isomeric Smiles
o1c(c(C(=O)OC)cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0286665
LogD (pH = 7.4)
-0.35095826
Log P
0.16273786
Molar Refractivity
38.9476
Polarizability
15.036782
Polar Surface Area
65.46
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
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References
Bioactivity
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