Molecule

ID:22611

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c16-13-7-4-8-14(11-13)17-15(18)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,16H2,(H,17,18)
InChIKey
HVIXXESZUFTZMD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)N)CCc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.112402
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6483638
LogD (pH = 7.4)
2.660778
Log P
2.6609387
Molar Refractivity
74.9443
Polarizability
27.798641
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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