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Chemical ID: 6990099
Chemical ID:
6990099
Name [?]:
N-(4-chloro-3-nitro-phenyl)-2-(3,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)C
InChi [?]:
InChI=1/C16H15ClN2O4/c1-10-5-11(2)7-13(6-10)23-9-16(20)18-12-3-4-14(17)15(8-12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,14,15,3,7,5,18,9,2,4,13,6,16,17,10,22,12,19,11,20,21,8/E:(1,2)(6,7)(10,11)(21,22)/CRV:19.5/rA:23nCCCCCCCOCCONCCCCCCN+OO-ClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O4 |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.93531 |
Area: | 537.526 |
Solvation: | -9.50283 |
Coulombic: | -38.6917 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.94 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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