Chemical ID: 4566242

COc1ccc2c(c1)c(c([nH]2)C(=O)O)c3ccccc3
Chemical ID:
4566242
Name [?]:
5-methoxy-3-phenyl-1H-indole-2-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(c([nH]2)C(=O)O)c3ccccc3
InChi [?]:
InChI=1/C16H13NO3/c1-20-11-7-8-13-12(9-11)14(15(17-13)16(18)19)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,4,5,8,15,3,7,6,9,10,12,11,13,14,2/E:(3,4)(5,6)(18,19)/rA:20nCOCCCCCCCCNCOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s9;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.9046
Area:444.745
Solvation:-3.21404
Coulombic:-48.1485
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):3.16

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