Molecule

ID:88997

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2
InChIKey
OQRDPCPTEDSJHU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)N1CCOCC1
Isomeric Smiles
N#Cc1cc(ccc1)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7188851
LogD (pH = 7.4)
1.7188854
Log P
1.7188854
Molar Refractivity
55.2827
Polarizability
20.62497
Polar Surface Area
36.26
Rotatable Bonds
1
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation
CAS 204078-31-9|3-(morpholin-4-yl)benzonitrile|3-(Morpholin-4-yl)benzonitrile 97%|3-(morpholin-4-yl)benzonitrile|4-(3-Cyanophenyl)morpholine|3-morpholin-4-ylbenzonitrile | Molfinder