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Chemical ID: 4216376
Chemical ID:
4216376
Name [?]:
1-(8-amino-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)ethanone
SMILES [?]:
CC(=O)c1cc2c(cc1N)OCCO2
InChi [?]:
InChI=1/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,5,8,2,4,9,6,7,10,3,14,11/rA:14nCCOCCCCCCNOCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s7;s11;s12;s6s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.15274 |
Area: | 341.384 |
Solvation: | -3.38187 |
Coulombic: | -39.1415 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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