ChemDB: Chemical Search
Download
Chemical ID: 6393388
Chemical ID:
6393388
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]-4-nitro-benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C=NNC(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17N3O5/c1-3-25-15-9-4-12(10-16(15)24-2)11-18-19-17(21)13-5-7-14(8-6-13)20(22)23/h4-11H,3H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,18,22,19,21,5,8,12,7,17,20,4,9,15,13,14,23,16,24,25,10,3/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:25nCCOCCCCCCOCCNNCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.60212 |
Area: | 564.093 |
Solvation: | -12.5002 |
Coulombic: | -43.5343 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.03 |
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 |
---|