Molecule

ID:133649

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄ClN₅O₂
Molecular Mass
365.85776
Exact Mass
365.16185271
Charge
0
InChI
InChI=1S/C17H23N5O2.ClH/c1-24-15-10-12(9-11-5-2-3-6-13(11)15)22-16(23)14(18)7-4-8-21-17(19)20;/h2-3,5-6,9-10,14H,4,7-8,18H2,1H3,(H,22,23)(H4,19,20,21);1H/t14-;/m0./s1
InChIKey
GWYLBAGMRDLTBD-UQKRIMTDSA-N
Canonic Smiles
COc1cc(NC(=O)[C@H](CCCNC(=N)N)N)cc2c1cccc2.Cl
Isomeric Smiles
COc1cc(cc2c1cccc2)NC(=O)[C@H](CCCNC(=N)N)N.Cl
Calculated Properties
JChem
Acid pKa
12.967682
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.950411
LogD (pH = 7.4)
-2.2553766
Log P
0.4122818
Molar Refractivity
105.1138
Polarizability
37.12218
Polar Surface Area
126.25
Rotatable Bonds
7
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