Molecule

ID:62600

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O
Molecular Mass
281.7811
Exact Mass
281.12948996
Charge
0
InChI
InChI=1S/C14H20ClN3O/c1-14(2,3)13(19)18-8-4-10(5-9-18)11-12(15)17-7-6-16-11/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
GHWQYVBNMAAXRS-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCC(CC1)c1nccnc1Cl
Isomeric Smiles
C(=O)(N1CCC(c2c(nccn2)Cl)CC1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0065458
LogD (pH = 7.4)
2.0065496
Log P
2.0065496
Molar Refractivity
75.9017
Polarizability
29.396027
Polar Surface Area
46.09
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