Molecule

ID:17484

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c11-8-9(10-4-3-7-13-10)12-5-1-2-6-12/h3-4,7,9H,1-2,5-6,8,11H2
InChIKey
UYQVLFHSKHZNKC-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccco1)N1CCCC1
Isomeric Smiles
C(c1ccco1)(N1CCCC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.338492
LogD (pH = 7.4)
-1.0348288
Log P
0.6434699
Molar Refractivity
52.1526
Polarizability
20.561138
Polar Surface Area
42.4
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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