Chemical ID: 3964405

COC(=O)c1ccc2cc[nH]c2c1
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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