Molecule

ID:38346

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N
Molecular Mass
165.27526
Exact Mass
165.15174961
Charge
0
InChI
InChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey
AWVUYKHSNNYPOX-MXWKQRLJSA-N
Canonic Smiles
N#C[C@H]1C[C@H](C)CC[C@H]1C(C)C
Isomeric Smiles
C1[C@H]([C@H](C[C@@H](C1)C)C#N)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2537313
LogD (pH = 7.4)
3.2537313
Log P
3.2537313
Molar Refractivity
51.072
Polarizability
20.116526
Polar Surface Area
23.79
Rotatable Bonds
1
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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