Molecule

ID:18358

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKey
CCCVQPGAXZNTIL-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1ccc(cc1)N)C
Isomeric Smiles
c1(N)ccc(cc1)OCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2458625
LogD (pH = 7.4)
-0.46306092
Log P
1.0052931
Molar Refractivity
55.2407
Polarizability
21.042309
Polar Surface Area
38.49
Rotatable Bonds
4
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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