Molecule

ID:60580

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c14-11(9-4-7-12-8-5-9)10-3-1-2-6-13-10/h1-3,6,9,11-12,14H,4-5,7-8H2
InChIKey
BXDBAOURAFYYOE-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccn1)C1CCNCC1
Isomeric Smiles
C1CNCCC1C(c1ncccc1)O
Calculated Properties
JChem
Acid pKa
13.55222
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8843567
LogD (pH = 7.4)
-2.1642702
Log P
0.38601074
Molar Refractivity
54.9145
Polarizability
21.890892
Polar Surface Area
45.15
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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