Molecule

ID:62382

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₄O
Molecular Mass
204.65732
Exact Mass
204.07778874
Charge
0
InChI
InChI=1S/C7H12N4O.ClH/c1-10(2)7(12)5-11-4-6(8)3-9-11;/h3-4H,5,8H2,1-2H3;1H
InChIKey
IDOJEHPNVGPFRF-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)Cn1ncc(c1)N)C.Cl
Isomeric Smiles
n1(ncc(c1)N)CC(=O)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3094598
LogD (pH = 7.4)
-1.3094276
Log P
-1.3094273
Molar Refractivity
57.362
Polarizability
16.885738
Polar Surface Area
64.15
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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