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Chemical ID: 5133139
Chemical ID:
5133139
Name [?]:
6-phenyl-1H-indole-2-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2ccc3cc([nH]c3c2)C(=O)O
InChi [?]:
InChI=1/C15H11NO2/c17-15(18)14-9-12-7-6-11(8-13(12)16-14)10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,9,15,11,4,7,10,14,12,16,13,17,18/E:(2,3)(4,5)(17,18)/rA:18nCCCCCCCCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d10s13;d7s14;s12;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5384 |
Area: | 422.272 |
Solvation: | -2.0184 |
Coulombic: | -41.8034 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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