Molecule

ID:29007

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N
Molecular Mass
232.1495
Exact Mass
231.05815485
Charge
0
InChI
InChI=1S/C11H15Cl2N/c1-11(2,3)7-14-10-5-4-8(12)6-9(10)13/h4-6,14H,7H2,1-3H3
InChIKey
LPSBLRANSRQOKY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)NCC(C)(C)C
Isomeric Smiles
c1(cc(ccc1NCC(C)(C)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.376747
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.269341
LogD (pH = 7.4)
4.2763276
Log P
4.2764173
Molar Refractivity
64.0037
Polarizability
24.40127
Polar Surface Area
12.03
Rotatable Bonds
3
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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