Molecule

ID:61481

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₃
Molecular Mass
213.70714
Exact Mass
213.10327521
Charge
0
InChI
InChI=1S/C10H15N3.ClH/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13;/h1-2,4,6,11H,3,5,7-9H2;1H
InChIKey
ATSWHVJKZTZMCG-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1ccccn1.Cl
Isomeric Smiles
N1CCN(CCC1)c1ccccn1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2616808
LogD (pH = 7.4)
-1.1813006
Log P
0.98210615
Molar Refractivity
54.264
Polarizability
20.579075
Polar Surface Area
28.16
Rotatable Bonds
1
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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