Molecule

ID:30640

General Information
Structure
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
AUFSOOYCQYDGES-UHFFFAOYSA-N
Canonic Smiles
CNCC(c1ccccc1)C
Isomeric Smiles
c1(C(CNC)C)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0435151
LogD (pH = 7.4)
-0.51739234
Log P
2.1852286
Molar Refractivity
48.5326
Polarizability
19.210823
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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