Molecule

ID:47751

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂
Molecular Mass
238.75636
Exact Mass
238.1236763
Charge
0
InChI
InChI=1S/C13H19ClN2/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3
InChIKey
SZFJCDGNNBDKBT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)N(C1CCCCC1)C
Isomeric Smiles
c1(N(C2CCCCC2)C)c(cc(cc1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4648771
LogD (pH = 7.4)
3.6526654
Log P
3.655679
Molar Refractivity
71.006
Polarizability
26.634624
Polar Surface Area
29.26
Rotatable Bonds
2
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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