Chemical ID: 7370061

CCNc1ccc(cc1[N+](=O)[O-])C(=O)O[Na]
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

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Descriptor Annotations

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