Molecule

ID:31096

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-11(14)13(12-5-3-2-4-6-12)15-7-9-16-10-8-15/h2-6,11,13H,7-10,14H2,1H3
InChIKey
KPUFYSBGJJQBJI-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1ccccc1)N1CCOCC1)N
Isomeric Smiles
N1(C(c2ccccc2)C(N)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8201416
LogD (pH = 7.4)
-0.40118566
Log P
1.3755004
Molar Refractivity
65.714
Polarizability
26.250889
Polar Surface Area
38.49
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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