Molecule

ID:7899

General Information
Structure
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8,11H2,1H3
InChIKey
XLJAVPNHXCHBPU-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)CC
Isomeric Smiles
c1c(ccc(c1)CCN)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6651621
LogD (pH = 7.4)
0.025808077
Log P
2.3456655
Molar Refractivity
48.9286
Polarizability
19.128174
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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