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Chemical ID: 6215180
Chemical ID:
6215180
Name [?]:
N-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)N2C(=O)C=CC2=O
InChi [?]:
InChI=1/C12H10N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7H,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,14,15,2,5,8,12,16,4,11,3,13,17/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:17nCCONCCCCCCNCOCCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s11s15;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.41905 |
Area: | 400.316 |
Solvation: | -3.58886 |
Coulombic: | -43.4428 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.29 |
LogP (Chemaxon): | 0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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