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Chemical ID: 4323979
Chemical ID:
4323979
Name [?]:
N'-cyclopropyl-N-(4-methoxyphenyl)-oxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C(=O)NC2CC2
InChi [?]:
InChI=1/C12H14N2O3/c1-17-10-6-4-9(5-7-10)14-12(16)11(15)13-8-2-3-8/h4-8H,2-3H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,5,7,4,8,15,6,3,12,10,14,9,13,11,2/E:(2,3)(4,5)(6,7)/rA:17nCOCCCCCCNCOCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90423 |
Area: | 433.177 |
Solvation: | -2.92521 |
Coulombic: | -53.2705 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.92 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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