Molecule
ID:14140
General Information
Molecular Formula
C₈H₁₅N
Molecular Mass
125.2114
Exact Mass
125.12044949
Charge
0
InChI
InChI=1S/C8H15N/c1-4-6-8(3,9)7-5-2/h4-5H,1-2,6-7,9H2,3H3
InChIKey
LISDOJRNQJDFDI-UHFFFAOYSA-N
Canonic Smiles
C=CCC(CC=C)(N)C
Isomeric Smiles
C(CC=C)(CC=C)(C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2748667
LogD (pH = 7.4)
-1.0608281
Log P
1.754707
Molar Refractivity
42.0626
Polarizability
16.578463
Polar Surface Area
26.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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