Molecule

ID:38344

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl
Molecular Mass
174.71086
Exact Mass
174.11752829
Charge
0
InChI
InChI=1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
OMLOJNNKKPNVKN-KXUCPTDWSA-N
Canonic Smiles
C[C@@H]1CC[C@H]([C@@H](C1)Cl)C(C)C
Isomeric Smiles
C1[C@H]([C@@H](C[C@@H](C1)C)Cl)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.018865
LogD (pH = 7.4)
4.018865
Log P
4.018865
Molar Refractivity
50.4963
Polarizability
20.23495
Polar Surface Area
0.0
Rotatable Bonds
1
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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