Molecule

ID:42233

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₂
Molecular Mass
210.61708
Exact Mass
210.01960515
Charge
0
InChI
InChI=1S/C9H7ClN2O2/c10-6-1-2-8-11-7(3-9(13)14)5-12(8)4-6/h1-2,4-5H,3H2,(H,13,14)
InChIKey
IHZMECVRSCZAHU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cn2c(n1)ccc(c2)Cl
Isomeric Smiles
n12c(nc(c1)CC(=O)O)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
3.3480184
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.40139607
LogD (pH = 7.4)
-1.4390494
Log P
-0.3497442
Molar Refractivity
51.6768
Polarizability
19.444727
Polar Surface Area
54.6
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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