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Chemical ID: 4514325
Chemical ID:
4514325
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)C(=O)CC3
InChi [?]:
InChI=1/C12H11NO/c1-7-2-4-10-9(6-7)8-3-5-11(14)12(8)13-10/h2,4,6,13H,3,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,14,4,13,7,2,8,6,5,11,9,10,12/rA:14nCCCCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61816 |
Area: | 346.752 |
Solvation: | -2.05065 |
Coulombic: | -19.1231 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 185.222 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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