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Chemical ID: 4169010
Chemical ID:
4169010
Name [?]:
N-(6-acetamido-9,10-dioxo-2-anthryl)acetamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)C(=O)c3ccc(cc3C2=O)NC(=O)C
InChi [?]:
InChI=1/C18H14N2O4/c1-9(21)19-11-3-5-13-15(7-11)17(23)14-6-4-12(20-10(2)22)8-16(14)18(13)24/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,6,15,7,14,10,17,2,22,5,16,8,13,9,18,11,19,4,21,3,23,12,20/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)/gE:(1,2)/rA:24nCCONCCCCCCCOCCCCCCCONCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;d14;s15;d16;d13s17;s8s18;d19;s16;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81199 |
Area: | 508.126 |
Solvation: | -4.89115 |
Coulombic: | -53.6773 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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