Molecule

ID:117671

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-18-9-8-17-14-5-3-2-4-12(14)13-10-11(16)6-7-15(13)17/h2-7,10H,8-9,16H2,1H3
InChIKey
WOBCKWMVTAOFTP-UHFFFAOYSA-N
Canonic Smiles
COCCn1c2ccc(cc2c2c1cccc2)N
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(cc2)N)CCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4351773
LogD (pH = 7.4)
2.4386163
Log P
2.4386604
Molar Refractivity
74.1128
Polarizability
30.432583
Polar Surface Area
40.18
Rotatable Bonds
3
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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