Molecule

ID:62715

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃O₂
Molecular Mass
244.1189
Exact Mass
243.0541321
Charge
0
InChI
InChI=1S/C7H13N3O2.2ClH/c1-5(11)10-3-2-9-4-6(10)7(8)12;;/h6,9H,2-4H2,1H3,(H2,8,12);2*1H
InChIKey
XWKVYZFFTAVEEK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCNCC1C(=O)N.Cl.Cl
Isomeric Smiles
N1(C(C(=O)N)CNCC1)C(=O)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.9798565
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.8090553
LogD (pH = 7.4)
-2.4026659
Log P
-2.2358675
Molar Refractivity
42.6668
Polarizability
16.899183
Polar Surface Area
75.43
Rotatable Bonds
1
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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