Molecule

ID:121765

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+
InChIKey
HLCSDJLATUNSSI-JXMROGBWSA-N
Canonic Smiles
N#C/C=C(/CCC=C(C)C)\C
Isomeric Smiles
N#C/C=C(/CCC=C(C)C)\C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0472734
LogD (pH = 7.4)
3.0472734
Log P
3.0472734
Molar Refractivity
50.0288
Polarizability
18.541172
Polar Surface Area
23.79
Rotatable Bonds
3
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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