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Chemical ID: 6496141
Chemical ID:
6496141
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O5/c1-11-5-3-4-6-14(11)23-10-16(19)17-13-8-7-12(18(20)21)9-15(13)22-2/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,15,14,17,9,2,16,13,7,18,10,12,21,11,22,23,19,8/E:(20,21)/CRV:18.5/rA:23nCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.62973 |
Area: | 526.666 |
Solvation: | -9.53691 |
Coulombic: | -46.9548 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.59 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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