Molecule

ID:66972

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O
Molecular Mass
238.67354
Exact Mass
238.06213867
Charge
0
InChI
InChI=1S/C10H11ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2
InChIKey
QSTASPNCKDPSAH-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1ncn2C1CCCCO1
Isomeric Smiles
n1cn(c2ncnc(c12)Cl)C1CCCCO1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.651771
LogD (pH = 7.4)
1.651919
Log P
1.6519208
Molar Refractivity
60.3817
Polarizability
23.382618
Polar Surface Area
52.83
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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