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Chemical ID: 4737948
Chemical ID:
4737948
Name [?]:
N-(2-oxochromen-3-yl)acetamide
SMILES [?]:
CC(=O)Nc1cc2ccccc2oc1=O
InChi [?]:
InChI=1/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,6,2,7,5,12,14,4,3,15,13/rA:15nCCONCCCCCCCCOCO/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;s5s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6062 |
Area: | 363.04 |
Solvation: | -2.46981 |
Coulombic: | -39.9471 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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