Molecule

ID:33319

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄BrN
Molecular Mass
180.08606
Exact Mass
179.03096145
Charge
0
InChI
InChI=1S/C6H13N.BrH/c1-4-5-7-6(2)3;/h4,6-7H,1,5H2,2-3H3;1H
InChIKey
ULLBZKJDSQYDAN-UHFFFAOYSA-N
Canonic Smiles
C=CCNC(C)C.Br
Isomeric Smiles
C(=C)CNC(C)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9033456
LogD (pH = 7.4)
-1.1474196
Log P
1.3117543
Molar Refractivity
33.0235
Polarizability
13.112529
Polar Surface Area
12.03
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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