Molecule

ID:38145

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃O
Molecular Mass
191.65856
Exact Mass
191.08253976
Charge
0
InChI
InChI=1S/C7H13N3O.ClH/c1-5(2)7-9-6(3-4-8)11-10-7;/h5H,3-4,8H2,1-2H3;1H
InChIKey
ATWQIKRVWNFMJQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1onc(n1)C(C)C.Cl
Isomeric Smiles
o1c(CCN)nc(n1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1050816
LogD (pH = 7.4)
-0.7915935
Log P
0.9805583
Molar Refractivity
42.9997
Polarizability
16.034647
Polar Surface Area
64.94
Rotatable Bonds
3
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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