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Chemical ID: 6335169
Chemical ID:
6335169
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O4/c1-10-4-3-5-11(8-10)15(18)16-13-7-6-12(17(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,4,3,5,13,12,7,15,2,6,14,11,16,8,10,19,9,20,21,17/E:(19,20)/CRV:17.5/rA:21nCCCCCCCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.58098 |
Area: | 483.367 |
Solvation: | -7.50321 |
Coulombic: | -41.1666 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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