Molecule

ID:124604

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₄O
Molecular Mass
240.68942
Exact Mass
240.07778874
Charge
0
InChI
InChI=1S/C10H13ClN4O/c1-8(16)14-4-6-15(7-5-14)9-2-3-12-10(11)13-9/h2-3H,4-7H2,1H3
InChIKey
WAIIGUJGWCEXPW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccnc(n1)Cl
Isomeric Smiles
n1c(N2CCN(C(=O)C)CC2)ccnc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.73433197
LogD (pH = 7.4)
0.7347952
Log P
0.7348011
Molar Refractivity
63.2843
Polarizability
23.274515
Polar Surface Area
49.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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