Molecule

ID:58729

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N
Molecular Mass
137.2221
Exact Mass
137.12044949
Charge
0
InChI
InChI=1S/C9H15N/c1-3-5-9-7-4-6-8(2)10-9/h3-4,6,8-10H,1,5,7H2,2H3/t8-,9-/m0/s1
InChIKey
PSNCFOFVFFJWLI-IUCAKERBSA-N
Canonic Smiles
C[C@@H]1N[C@@H](CC=C)CC=C1
Isomeric Smiles
C1=CC[C@@H](N[C@H]1C)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2767129
LogD (pH = 7.4)
-0.66329175
Log P
1.9477266
Molar Refractivity
45.8047
Polarizability
17.67784
Polar Surface Area
12.03
Rotatable Bonds
2
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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