Molecule

ID:21544

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKey
BVUCIDPYOGNAEQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)NCCc1ccccc1
Isomeric Smiles
c1(C(=O)NCCc2ccccc2)c(N)cccc1
Calculated Properties
JChem
Acid pKa
15.408563
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8807905
LogD (pH = 7.4)
2.8817582
Log P
2.8817706
Molar Refractivity
74.1011
Polarizability
27.588064
Polar Surface Area
55.12
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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