Chemical ID: 4349187

COC(=O)c1c(c2ccccc2s1)N
Chemical ID:
4349187
Name [?]:
methyl 3-aminobenzothiophene-2-carboxylate
SMILES [?]:
COC(=O)c1c(c2ccccc2s1)N
InChi [?]:
InChI=1/C10H9NO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,7,12,6,5,3,14,4,2,13/rA:14nCOCOCCCCCCCCSN/rB:s1;s2;d3;s3;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.52001
Area:361.742
Solvation:-1.52353
Coulombic:-38.1482
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.25
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.26
LogP (Chemaxon):2.25

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Descriptor Annotations

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