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Chemical ID: 6046289
Chemical ID:
6046289
Name [?]:
2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2
InChi [?]:
InChI=1/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,5,4,10,12,11/rA:12nCCCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14713 |
Area: | 311.501 |
Solvation: | -1.64039 |
Coulombic: | -20.7802 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 161.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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