ChemDB: Chemical Search
Download
Chemical ID: 7370061
Chemical ID:
7370061
Name [?]:
(4-ethylamino-3-nitro-benzoyl)oxysodium
SMILES [?]:
CCNc1ccc(cc1[N+](=O)[O-])C(=O)O[Na]
InChi [?]:
InChI=1/C9H10N2O4.Na/c1-2-10-7-4-3-6(9(12)13)5-8(7)11(14)15;/h3-5,10H,2H2,1H3,(H,12,13);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,7,4,9,13,3,10,14,15,11,12;16/E:(12,13)(14,15);/CRV:11.5;/rA:16nCCNCCCCCCN+OO-COONa/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9N2NaO4 |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 31.8046 |
Area: | 403.694 |
Solvation: | 21.7122 |
Coulombic: | None |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 232.169 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|