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Chemical ID: 3964405
Chemical ID:
3964405
Name [?]:
methyl 1H-indole-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2cc[nH]c2c1
InChi [?]:
InChI=1/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,9,10,13,8,5,12,3,11,4,2/rA:13nCOCOCCCCCCNCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d8s11;d5s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69636 |
Area: | 341.02 |
Solvation: | -1.82913 |
Coulombic: | -30.9044 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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