Molecule

ID:47741

General Information
Structure
Molecular Formula
C₁₁H₁₇ClN₂
Molecular Mass
212.71908
Exact Mass
212.10802623
Charge
0
InChI
InChI=1S/C11H17ClN2/c1-3-4-7-14(2)11-6-5-9(13)8-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKey
IKVMMBDZCAWTMP-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cc1Cl)N)C
Isomeric Smiles
c1(c(ccc(c1)N)N(CCCC)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9895136
LogD (pH = 7.4)
3.1772935
Log P
3.1803074
Molar Refractivity
63.8654
Polarizability
23.679802
Polar Surface Area
29.26
Rotatable Bonds
4
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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