Molecule
ID:15415
General Information
Molecular Formula
C₈H₁₈ClNO
Molecular Mass
179.68762
Exact Mass
179.10769188
Charge
0
InChI
InChI=1S/C8H17NO.ClH/c1-2-10-7-8-4-3-5-9-6-8;/h8-9H,2-7H2,1H3;1H
InChIKey
RGZVFOCXALLSEL-UHFFFAOYSA-N
Canonic Smiles
CCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6019592
LogD (pH = 7.4)
-2.0870187
Log P
0.6272731
Molar Refractivity
42.6367
Polarizability
16.955612
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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