Molecule

ID:8464

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5-6,11H2,1-2H3
InChIKey
IQXUVSNUSQIQCJ-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(c(c1)C)C
Isomeric Smiles
c1c(c(cc(c1)CCN)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5966468
LogD (pH = 7.4)
0.08920928
Log P
2.414518
Molar Refractivity
49.3688
Polarizability
19.046782
Polar Surface Area
26.02
Rotatable Bonds
2
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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