Molecule

ID:88973

General Information
Structure
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-6-12-10(13-15-6)8-4-2-7(3-5-8)9(11)14/h2-5H,1H3
InChIKey
SMBDBBBBXFXBSK-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1ccc(cc1)C(=O)Cl
Isomeric Smiles
n1c(c2ccc(cc2)C(=O)Cl)nc(o1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4397454
LogD (pH = 7.4)
2.4397454
Log P
2.4397454
Molar Refractivity
67.6406
Polarizability
21.275438
Polar Surface Area
55.99
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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