Molecule

ID:33095

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O
Molecular Mass
216.27894
Exact Mass
216.12626314
Charge
0
InChI
InChI=1S/C13H16N2O/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKey
OABOEOOTJDSLKD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(o2)C1CCNCC1
Isomeric Smiles
n1c(oc2c1cc(cc2)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1460567
LogD (pH = 7.4)
-0.2873625
Log P
2.0599294
Molar Refractivity
62.6366
Polarizability
25.53499
Polar Surface Area
38.06
Rotatable Bonds
1
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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