Chemical ID: 3964406

COC(=O)c1cccc2c1[nH]cc2
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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