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Chemical ID: 7515027
Chemical ID:
7515027
Name [?]:
N-(4-methyl-3-nitro-phenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H16N2O4/c1-11-4-3-5-14(8-11)22-10-16(19)17-13-7-6-12(2)15(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,15,14,7,18,9,2,16,13,6,17,10,12,19,11,20,21,8/E:(20,21)/CRV:18.5/rA:22nCCCCCCCOCCONCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 3.82665 |
Area: | 508.157 |
Solvation: | -8.87729 |
Coulombic: | -40.2755 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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