ChemDB: Chemical Search
Download
Chemical ID: 7293698
Chemical ID:
7293698
Name [?]:
4-cyclopropylamino-N-ethyl-3-nitro-benzamide
SMILES [?]:
CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])NC2CC2
InChi [?]:
InChI=1/C12H15N3O3/c1-2-13-12(16)8-3-6-10(14-9-4-5-9)11(7-8)15(17)18/h3,6-7,9,14H,2,4-5H2,1H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,2,7,17,18,8,11,6,16,9,10,4,3,15,12,5,13,14/E:(4,5)(17,18)/CRV:15.5/rA:18nCCNCOCCCCCCN+OO-NCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;s12;s9;s15;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15N3O3 |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.35064 |
Area: | 453.396 |
Solvation: | -6.98426 |
Coulombic: | -45.5883 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.266 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.45 |
LogP (Chemaxon): | 1.86 |
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 |
---|