Molecule

ID:103911

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₄O₂
Molecular Mass
242.66224
Exact Mass
242.05705329
Charge
0
InChI
InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChIKey
QCIARNIKNKKHFH-UHFFFAOYSA-N
Canonic Smiles
ClCCn1cnc2c1c(=O)n(C)c(=O)n2C
Isomeric Smiles
Cn1c(=O)n(C)c2c(n(CCCl)cn2)c1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.118844114
LogD (pH = 7.4)
0.11884425
Log P
0.118844256
Molar Refractivity
59.1745
Polarizability
21.600166
Polar Surface Area
58.44
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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