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Chemical ID: 6675151
Chemical ID:
6675151
Name [?]:
N,N'-bis(2-methoxy-5-nitro-phenyl)decanediamide
SMILES [?]:
COc1ccc(cc1NC(=O)CCCCCCCCC(=O)Nc2cc(ccc2OC)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C24H30N4O8/c1-35-21-13-11-17(27(31)32)15-19(21)25-23(29)9-7-5-3-4-6-8-10-24(30)26-20-16-18(28(33)34)12-14-22(20)36-2/h11-16H,3-10H2,1-2H3,(H,25,29)(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,15,16,14,17,13,18,12,19,5,26,4,27,7,24,6,25,8,23,3,28,10,20,9,22,34,31,11,21,35,36,32,33,2,29/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32,33,34)(35,36)/gE:(1,2)/CRV:27.5,28.5/rA:36nCOCCCCCCNCOCCCCCCCCCONCCCCCCOCN+OO-N+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s25;d31;s31;s6;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O8 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.9276 |
Area: | 808.393 |
Solvation: | -16.2822 |
Coulombic: | -76.4162 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 502.517 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 12 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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