Molecule

ID:92607

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c15-10-13-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKey
LBAPMUBLHSYEQV-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)N=C=O)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8238475
LogD (pH = 7.4)
2.8409884
Log P
2.8412116
Molar Refractivity
61.7006
Polarizability
22.249367
Polar Surface Area
32.67
Rotatable Bonds
2
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