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Chemical ID: 6710094
Chemical ID:
6710094
Name [?]:
1-methylindole-2-carboxylate
SMILES [?]:
Cn1c2ccccc2cc1C(=O)[O-]
InChi [?]:
InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,8,3,10,11,2,12,13/E:(12,13)/rA:13nCNCCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8NO2- |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.8065 |
Area: | 326.678 |
Solvation: | -42.9734 |
Coulombic: | -7.23915 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.176 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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