Molecule

ID:62797

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₄O
Molecular Mass
244.72118
Exact Mass
244.10908886
Charge
0
InChI
InChI=1S/C10H16N4O.ClH/c1-11-10(15)9-5-8(13-14-9)7-3-2-4-12-6-7;/h5,7,12H,2-4,6H2,1H3,(H,11,15)(H,13,14);1H
InChIKey
MJTFGVAPLFECQG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1[nH]nc(c1)C1CCCNC1.Cl
Isomeric Smiles
c1(cc(n[nH]1)C1CNCCC1)C(=O)NC.Cl
Calculated Properties
JChem
Acid pKa
9.24205
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.5199194
LogD (pH = 7.4)
-2.482322
Log P
-0.9914214
Molar Refractivity
58.4671
Polarizability
21.7617
Polar Surface Area
69.81
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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