Molecule

ID:35684

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c14-13-3-1-2-12(8-13)10-16-6-4-11(9-15)5-7-16/h1-3,8,11H,4-7,9-10,15H2
InChIKey
MYSKYKSEXUWHLM-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1cccc(c1)Cl
Isomeric Smiles
N1(Cc2cc(Cl)ccc2)CCC(CC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6443849
LogD (pH = 7.4)
-1.4693233
Log P
2.1904657
Molar Refractivity
69.6053
Polarizability
27.408072
Polar Surface Area
29.26
Rotatable Bonds
3
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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