Molecule

ID:55176

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClN₃
Molecular Mass
203.71232
Exact Mass
203.11892527
Charge
0
InChI
InChI=1S/C9H17N3.ClH/c1-4-5-12-8(3)9(6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H
InChIKey
CUVOJOJHFLTLFW-UHFFFAOYSA-N
Canonic Smiles
CCCn1nc(c(c1C)CN)C.Cl
Isomeric Smiles
n1(nc(c(c1C)CN)C)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1900227
LogD (pH = 7.4)
-0.9418968
Log P
0.7371361
Molar Refractivity
62.4486
Polarizability
19.46843
Polar Surface Area
43.84
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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