Molecule

ID:85852

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈ClN
Molecular Mass
151.67752
Exact Mass
151.11277726
Charge
0
InChI
InChI=1S/C7H17N.ClH/c1-4-6(2)5-7(3)8;/h6-7H,4-5,8H2,1-3H3;1H
InChIKey
ZKKBPHUAHARETG-UHFFFAOYSA-N
Canonic Smiles
CCC(CC(N)C)C.Cl
Isomeric Smiles
NC(CC(CC)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1809587
LogD (pH = 7.4)
-0.8808033
Log P
1.8466029
Molar Refractivity
37.3608
Polarizability
15.189125
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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