Molecule

ID:17322

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN₃O
Molecular Mass
193.67444
Exact Mass
193.09818983
Charge
0
InChI
InChI=1S/C7H15N3O.ClH/c1-9(2)7(11)10-5-3-8-4-6-10;/h8H,3-6H2,1-2H3;1H
InChIKey
WOAWLWDCEUALHT-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)N1CCNCC1)C.Cl
Isomeric Smiles
N1(C(=O)N(C)C)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.276323
LogD (pH = 7.4)
-1.5629448
Log P
-1.0050579
Molar Refractivity
43.4848
Polarizability
16.778328
Polar Surface Area
35.58
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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