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Chemical ID: 3964406
Chemical ID:
3964406
Name [?]:
methyl 1H-indole-7-carboxylate
SMILES [?]:
COC(=O)c1cccc2c1[nH]cc2
InChi [?]:
InChI=1/C10H9NO2/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-6,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,13,12,9,5,10,3,11,4,2/rA:13nCOCOCCCCCCNCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57047 |
Area: | 334.009 |
Solvation: | -1.77974 |
Coulombic: | -31.3264 |
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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