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Chemical ID: 6898192
Chemical ID:
6898192
Name [?]:
2-(2,3-dioxoindolin-1-yl)-N-(o-tolyl)propanamide
SMILES [?]:
Cc1ccccc1NC(=O)C(C)N2c3ccccc3C(=O)C2=O
InChi [?]:
InChI=1/C18H16N2O3/c1-11-7-3-5-9-14(11)19-17(22)12(2)20-15-10-6-4-8-13(15)16(21)18(20)23/h3-10,12H,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,12,4,17,5,16,3,18,6,15,2,11,19,7,14,20,9,22,8,13,21,10,23/rA:23cCCCCCCCNCOCCNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.49026 |
Area: | 499.383 |
Solvation: | -3.99432 |
Coulombic: | -48.2744 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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