Molecule

ID:55208

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂
Molecular Mass
146.61794
Exact Mass
146.06107604
Charge
0
InChI
InChI=1S/C6H10N2.ClH/c1-8-4-2-3-6(8)5-7;/h2-4H,5,7H2,1H3;1H
InChIKey
SZVTZJZXIJXUHU-UHFFFAOYSA-N
Canonic Smiles
NCc1cccn1C.Cl
Isomeric Smiles
C(c1cccn1C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5908499
LogD (pH = 7.4)
-1.3016739
Log P
0.32257554
Molar Refractivity
34.0644
Polarizability
13.169822
Polar Surface Area
30.95
Rotatable Bonds
1
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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