Molecule

ID:104232

General Information
Structure
Molecular Formula
C₇H₁₅Cl₂NO
Molecular Mass
200.1061
Exact Mass
199.05306947
Charge
0
InChI
InChI=1S/C7H14ClNO.ClH/c1-5(2)3-6(9)7(10)4-8;/h5-6H,3-4,9H2,1-2H3;1H/t6-;/m0./s1
InChIKey
DRZZRBOLWKRHPF-RGMNGODLSA-N
Canonic Smiles
ClCC(=O)[C@H](CC(C)C)N.Cl
Isomeric Smiles
Cl.CC(C)C[C@H](N)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.532388
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9103565
LogD (pH = 7.4)
0.7789258
Log P
1.5423682
Molar Refractivity
42.4752
Polarizability
17.056
Polar Surface Area
43.09
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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