Molecule

ID:31579

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN₃
Molecular Mass
177.67504
Exact Mass
177.10327521
Charge
0
InChI
InChI=1S/C7H15N3.ClH/c1-6-3-2-4-10(5-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
InChIKey
QBBCJLHPCGMXPP-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C(=N)N.Cl
Isomeric Smiles
N1(C(=N)N)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.897369
LogD (pH = 7.4)
-1.896994
Log P
0.5180854
Molar Refractivity
52.5417
Polarizability
15.892349
Polar Surface Area
53.11
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
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Molecule Details
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References
Bioactivity
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