Molecule

ID:88853

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey
OGIQUQKNJJTLSZ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.892912
LogD (pH = 7.4)
2.990055
Log P
2.9914472
Molar Refractivity
49.6026
Polarizability
18.802355
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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