Molecule

ID:61251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₄O
Molecular Mass
240.68942
Exact Mass
240.07778874
Charge
0
InChI
InChI=1S/C10H13ClN4O/c11-5-10(16)15-3-1-14(2-4-15)9-6-12-8-13-7-9/h6-8H,1-5H2
InChIKey
SOXBUMREPVEBAV-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)c1cncnc1
Isomeric Smiles
C1CN(CCN1c1cncnc1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.2310038
LogD (pH = 7.4)
-0.23086473
Log P
-0.23086296
Molar Refractivity
62.2254
Polarizability
23.110804
Polar Surface Area
49.33
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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