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Chemical ID: 4606846
Chemical ID:
4606846
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)acetamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)OCCO2
InChi [?]:
InChI=1/C10H11NO3/c1-7(12)11-8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6H,4-5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,6,7,13,12,10,2,5,8,9,4,3,14,11/rA:14nCCONCCCCCCOCCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.33897 |
Area: | 351.393 |
Solvation: | -3.44585 |
Coulombic: | -34.8712 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.9 |
LogP (Chemaxon): | 0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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