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Chemical ID: 6710175
Chemical ID:
6710175
Name [?]:
1H-indole-2-carboxylate
SMILES [?]:
c1ccc2c(c1)cc([nH]2)C(=O)[O-]
InChi [?]:
InChI=1/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,10,9,11,12/E:(11,12)/rA:12nCCCCCCCCNCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6NO2- |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.2325 |
Area: | 314.658 |
Solvation: | -43.0989 |
Coulombic: | -13.404 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.149 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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