Molecule

ID:89172

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₂
Molecular Mass
186.59568
Exact Mass
186.01960515
Charge
0
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,9H2,1H3
InChIKey
CERGHRQGKYIIED-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)ncc1N
Isomeric Smiles
n1c(cc(c(c1)N)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4043458
LogD (pH = 7.4)
1.4043462
Log P
1.4043462
Molar Refractivity
46.4929
Polarizability
17.017408
Polar Surface Area
65.21
Rotatable Bonds
2
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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