Molecule

ID:35250

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N
Molecular Mass
123.19552
Exact Mass
123.10479942
Charge
0
InChI
InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2
InChIKey
XLBALIGLOMYEKN-UHFFFAOYSA-N
Canonic Smiles
NCC1CC2CC1C=C2
Isomeric Smiles
C1=CC2CC1C(C2)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.231272
LogD (pH = 7.4)
-1.8094635
Log P
0.79264635
Molar Refractivity
39.4744
Polarizability
15.31781
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation