Molecule

ID:15027

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂
Molecular Mass
228.76154
Exact Mass
228.13932636
Charge
0
InChI
InChI=1S/C12H20N2.ClH/c1-2-3-4-5-6-11-7-9-12(14-13)10-8-11;/h7-10,14H,2-6,13H2,1H3;1H
InChIKey
UESGGYWXGDEGAZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)NN.Cl
Isomeric Smiles
c1c(ccc(c1)NN)CCCCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8587987
LogD (pH = 7.4)
4.0970845
Log P
4.1011534
Molar Refractivity
63.8109
Polarizability
23.903458
Polar Surface Area
38.05
Rotatable Bonds
6
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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