Molecule

ID:61476

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁N₃O
Molecular Mass
199.29324
Exact Mass
199.16846231
Charge
0
InChI
InChI=1S/C10H21N3O/c1-10(14)13-7-3-6-12(8-9-13)5-2-4-11/h2-9,11H2,1H3
InChIKey
YRLPARYNACLMET-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCCN(CC1)C(=O)C
Isomeric Smiles
N1(CCCN)CCCN(CC1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.5824003
LogD (pH = 7.4)
-4.4528003
Log P
-1.4128809
Molar Refractivity
57.99
Polarizability
22.680025
Polar Surface Area
49.57
Rotatable Bonds
3
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