Molecule

ID:18588

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10H,3,11H2,1-2H3
InChIKey
FWTZOQCAVLMPJE-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)C)N
Isomeric Smiles
c1(ccc(cc1)C)C(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.45922565
LogD (pH = 7.4)
0.23278031
Log P
2.551533
Molar Refractivity
48.5154
Polarizability
19.207983
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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