Molecule

ID:62683

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉Cl₂N₃O₂
Molecular Mass
272.17206
Exact Mass
271.08543222
Charge
0
InChI
InChI=1S/C9H17N3O2.2ClH/c1-7(13)12-5-4-10-6-8(12)9(14)11(2)3;;/h8,10H,4-6H2,1-3H3;2*1H
InChIKey
QKWKOZANYOCWIA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CNCCN1C(=O)C)N(C)C.Cl.Cl
Isomeric Smiles
C1(N(C(=O)C)CCNC1)C(=O)N(C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.914808
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.361028
LogD (pH = 7.4)
-1.9550878
Log P
-1.7885154
Molar Refractivity
52.4602
Polarizability
20.556536
Polar Surface Area
52.65
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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