Molecule

ID:24953

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N
Molecular Mass
165.27526
Exact Mass
165.15174961
Charge
0
InChI
InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
InChIKey
NZOLSRPWNVZXTK-UHFFFAOYSA-N
Canonic Smiles
CNC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3401213
LogD (pH = 7.4)
-1.1342521
Log P
1.898528
Molar Refractivity
50.3102
Polarizability
20.35101
Polar Surface Area
12.03
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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