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Chemical ID: 4271317
Chemical ID:
4271317
Name [?]:
N-(9,10-dioxo-2-anthryl)acetamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C16H11NO3/c1-9(18)17-10-6-7-13-14(8-10)16(20)12-5-3-2-4-11(12)15(13)19/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,6,7,10,2,5,18,13,8,9,19,11,4,3,20,12/rA:20nCCONCCCCCCCOCCCCCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;d14;s15;d16;d13s17;s8s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49218 |
Area: | 437.572 |
Solvation: | -3.44713 |
Coulombic: | -36.4473 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 265.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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