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Chemical ID: 7435961
Chemical ID:
7435961
Name [?]:
8-ethyl-10-hydroxy-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CCC1C(=O)N(c2ccccc2O1)O
InChi [?]:
InChI=1/C10H11NO3/c1-2-8-10(12)11(13)7-5-3-4-6-9(7)14-8/h3-6,8,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,7,3,12,4,6,5,14,13/rA:14cCCCCONCCCCCCOO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO3 |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.36143 |
Area: | 348.558 |
Solvation: | -2.35251 |
Coulombic: | -35.3929 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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