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Chemical ID: 6604732
Chemical ID:
6604732
Name [?]:
N-(2-methoxyphenyl)-N'-phenyl-oxamide
SMILES [?]:
COc1ccccc1NC(=O)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C15H14N2O3/c1-20-13-10-6-5-9-12(13)17-15(19)14(18)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,6,5,16,20,7,4,15,8,3,12,10,14,9,13,11,2/E:(3,4)(7,8)/rA:20nCOCCCCCCNCOCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68954 |
Area: | 464.814 |
Solvation: | -2.93081 |
Coulombic: | -55.0498 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.283 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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