Molecule

ID:83683

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₇Cl
Molecular Mass
407.11508
Exact Mass
406.33662918
Charge
0
InChI
InChI=1S/C27H47Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3/t19?,20-,21+,22?,23?,24?,25?,26?,27?/m0/s1
InChIKey
LHVAJZMYZDQMQT-LNXFVTSZSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC[C@@H]2C1(C)CC[C@H](C2)Cl)C)C
Isomeric Smiles
Cl[C@@H]1CCC2(C3CCC4(C(C3CC[C@H]2C1)CCC4C(CCCC(C)C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.87306
LogD (pH = 7.4)
8.87306
Log P
8.87306
Molar Refractivity
122.8175
Polarizability
49.393085
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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