Molecule

ID:35337

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₃
Molecular Mass
189.59632
Exact Mass
189.0192708
Charge
0
InChI
InChI=1S/C7H8ClNO3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4H2,1H3
InChIKey
RNURPQMTRDHCNM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)CCl
Isomeric Smiles
c1(noc(c1)CCl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3911697
LogD (pH = 7.4)
1.3911697
Log P
1.3911697
Molar Refractivity
43.6463
Polarizability
16.437613
Polar Surface Area
52.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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