Molecule

ID:78080

General Information
Structure
Molecular Formula
C₇H₁₄N₂O
Molecular Mass
142.19886
Exact Mass
142.11061308
Charge
0
InChI
InChI=1S/C7H14N2O/c1-9(2)7(10)6-4-3-5-8-6/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKey
MLLMAIJXIZOSFS-ZCFIWIBFSA-N
Canonic Smiles
O=C([C@H]1CCCN1)N(C)C
Isomeric Smiles
N(C(=O)[C@H]1CCCN1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6637723
LogD (pH = 7.4)
-2.815787
Log P
-0.4567319
Molar Refractivity
39.6799
Polarizability
15.631624
Polar Surface Area
32.34
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
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation