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Chemical ID: 4285463
Chemical ID:
4285463
Name [?]:
ethyl 8-oxo-5,6,7,9-tetrahydrocarbazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)c3c([nH]2)C(=O)CCC3
InChi [?]:
InChI=1/C15H15NO3/c1-2-19-15(18)9-6-7-12-11(8-9)10-4-3-5-13(17)14(10)16-12/h6-8,16H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,17,7,8,11,6,12,10,9,15,13,4,14,16,5,3/rA:19nCCOCOCCCCCCCCNCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;s9s13;s13;d15;s15;s17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39178 |
Area: | 446.435 |
Solvation: | -2.76909 |
Coulombic: | -38.8968 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.285 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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