Molecule

ID:62927

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆Cl₃N₅O
Molecular Mass
374.73744
Exact Mass
373.12029352
Charge
0
InChI
InChI=1S/C13H23N5O.3ClH/c1-17(2)10-13(19)16-12-7-15-18(9-12)8-11-3-5-14-6-4-11;;;/h7,9,11,14H,3-6,8,10H2,1-2H3,(H,16,19);3*1H
InChIKey
GZVBIGPCTDHQTA-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)Nc1cnn(c1)CC1CCNCC1)C.Cl.Cl.Cl
Isomeric Smiles
n1(ncc(c1)NC(=O)CN(C)C)CC1CCNCC1.Cl.Cl.Cl
Calculated Properties
JChem
Acid pKa
11.467445
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.150162
LogD (pH = 7.4)
-3.2957351
Log P
-0.5806449
Molar Refractivity
88.2278
Polarizability
28.997303
Polar Surface Area
62.19
Rotatable Bonds
5
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