Molecule

ID:86403

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N
Molecular Mass
109.16894
Exact Mass
109.08914936
Charge
0
InChI
InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2
InChIKey
ZLWQKLRMIQIHKQ-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCC#N
Isomeric Smiles
N#CCCCCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0094256
LogD (pH = 7.4)
2.0094256
Log P
2.0094256
Molar Refractivity
34.698
Polarizability
13.235207
Polar Surface Area
23.79
Rotatable Bonds
4
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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