Molecule

ID:15026

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₂
Molecular Mass
214.73496
Exact Mass
214.1236763
Charge
0
InChI
InChI=1S/C11H18N2.ClH/c1-2-3-4-5-10-6-8-11(13-12)9-7-10;/h6-9,13H,2-5,12H2,1H3;1H
InChIKey
NEHBSEKAJYPZOI-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)NN.Cl
Isomeric Smiles
c1c(ccc(c1)NN)CCCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.41423
LogD (pH = 7.4)
3.652516
Log P
3.6565845
Molar Refractivity
59.2099
Polarizability
22.05669
Polar Surface Area
38.05
Rotatable Bonds
5
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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