Molecule

ID:34597

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂NO
Molecular Mass
200.1061
Exact Mass
199.05306947
Charge
0
InChI
InChI=1S/C7H14ClNO.ClH/c1-7(6-8)9-2-4-10-5-3-9;/h7H,2-6H2,1H3;1H
InChIKey
GYCYLJUJODVGEJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(N1CCOCC1)C.Cl
Isomeric Smiles
C1COCCN1C(CCl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.03424297
LogD (pH = 7.4)
1.0038537
Log P
1.0527339
Molar Refractivity
42.8247
Polarizability
16.948645
Polar Surface Area
12.47
Rotatable Bonds
2
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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