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Chemical ID: 5576151
Chemical ID:
5576151
Name [?]:
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
SMILES [?]:
CC(=O)NC1Cc2c1cccc2
InChi [?]:
InChI=1/C10H11NO/c1-7(12)11-10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,6,2,7,8,5,4,3/rA:12cCCONCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s5s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.43707 |
Area: | 332.864 |
Solvation: | -1.88453 |
Coulombic: | -20.7934 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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