Molecule

ID:53409

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN₃O₂
Molecular Mass
201.61032
Exact Mass
201.03050419
Charge
0
InChI
InChI=1S/C7H8ClN3O2/c1-11(13-2)7(12)5-3-9-4-6(8)10-5/h3-4H,1-2H3
InChIKey
HTOWCNMMJZZNJA-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cncc(n1)Cl)OC
Isomeric Smiles
c1(C(=O)N(OC)C)nc(Cl)cnc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.19706847
LogD (pH = 7.4)
0.1970685
Log P
0.1970685
Molar Refractivity
47.4603
Polarizability
17.862337
Polar Surface Area
55.32
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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