Molecule
ID:76270
General Information
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c8-5-7(10)6-1-3-9-4-2-6/h1-4,7,10H,5,8H2
InChIKey
XYIUAYKSHAYZDY-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccncc1)O
Isomeric Smiles
n1ccc(cc1)C(O)CN
Calculated Properties
JChem
Acid pKa
13.963868
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.7653842
LogD (pH = 7.4)
-2.4236708
Log P
-0.7489931
Molar Refractivity
38.337
Polarizability
15.249339
Polar Surface Area
59.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...