Molecule

ID:44058

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O
Molecular Mass
206.62838
Exact Mass
206.02469053
Charge
0
InChI
InChI=1S/C10H7ClN2O/c11-10-8(6-12-14)5-7-3-1-2-4-9(7)13-10/h1-6,14H/b12-6+
InChIKey
KTZXCDZMISQMMF-WUXMJOGZSA-N
Canonic Smiles
O/N=C/c1cc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(cc2c1cccc2)/C=N/O)Cl
Calculated Properties
JChem
Acid pKa
8.942822
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6769168
LogD (pH = 7.4)
2.6648862
Log P
2.6771045
Molar Refractivity
56.2511
Polarizability
22.124842
Polar Surface Area
45.48
Rotatable Bonds
1
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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