Molecule

ID:87496

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₅O₂
Molecular Mass
295.3806
Exact Mass
295.20082507
Charge
0
InChI
InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)18-7-4-17(5-8-18)6-9-19-11-12(15)10-16-19/h10-11H,4-9,15H2,1-3H3
InChIKey
FRRJXCQVPZHDDG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)CCn1ncc(c1)N)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N1CCN(CCn2cc(N)cn2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.76902443
LogD (pH = 7.4)
0.2777463
Log P
0.33808914
Molar Refractivity
93.4314
Polarizability
31.175219
Polar Surface Area
76.62
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