Molecule
ID:81271
General Information
Molecular Formula
C₈H₁₅N
Molecular Mass
125.2114
Exact Mass
125.12044949
Charge
0
InChI
InChI=1S/C8H15N/c1-8(2,3)7-5-4-6-9-7/h4-6H2,1-3H3
InChIKey
QEFNEUAIICKMRL-UHFFFAOYSA-N
Canonic Smiles
CC(C1=NCCC1)(C)C
Isomeric Smiles
N1=C(C(C)(C)C)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.066586204
LogD (pH = 7.4)
1.6866238
Log P
2.3691568
Molar Refractivity
39.7463
Polarizability
15.478044
Polar Surface Area
12.36
Rotatable Bonds
1
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
No Data Available
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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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