Molecule

ID:34822

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N
Molecular Mass
125.2114
Exact Mass
125.12044949
Charge
0
InChI
InChI=1S/C8H15N/c1-2-7-9-8-5-3-4-6-8/h2,8-9H,1,3-7H2
InChIKey
CTSIKBGUCQWRIM-UHFFFAOYSA-N
Canonic Smiles
C=CCNC1CCCC1
Isomeric Smiles
C(=C)CNC1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3283998
LogD (pH = 7.4)
-0.6640752
Log P
1.8930732
Molar Refractivity
40.2693
Polarizability
16.06087
Polar Surface Area
12.03
Rotatable Bonds
3
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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