Molecule

ID:16507

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c16-9-11(18)10-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11,18H,9-10,16H2
InChIKey
VMSWVRRUBQSAGT-UHFFFAOYSA-N
Canonic Smiles
NCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
n1(c2c(c3c1cccc3)cccc2)CC(CN)O
Calculated Properties
JChem
Acid pKa
14.441038
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1168123
LogD (pH = 7.4)
-0.33498567
Log P
1.887243
Molar Refractivity
72.2812
Polarizability
30.775318
Polar Surface Area
51.18
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation