Molecule
ID:124620
General Information
Molecular Formula
C₁₀H₁₅ClN₄O
Molecular Mass
242.7053
Exact Mass
242.0934388
Charge
0
InChI
InChI=1S/C10H15ClN4O/c11-9-1-2-10(13-12-9)15-5-3-14(4-6-15)7-8-16/h1-2,16H,3-8H2
InChIKey
BPQVANJSGMVPGA-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)c1ccc(nn1)Cl
Isomeric Smiles
N1(c2nnc(cc2)Cl)CCN(CC1)CCO
Calculated Properties
JChem
Acid pKa
15.593097
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.201546
LogD (pH = 7.4)
0.26301837
Log P
0.45954424
Molar Refractivity
66.715
Polarizability
24.135822
Polar Surface Area
52.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...