Molecule

ID:76

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKey
DHHVAGZRUROJKS-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1)(N)C
Isomeric Smiles
NC(Cc1ccccc1)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.63
LogD (pH = 5.5)
-0.94
Log P
2.08
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.40
Polar Surface Area
26.02
Polarizability
17.79
Molar Refractivity
48.34
LOG S
-1.59
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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