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Chemical ID: 6758895
Chemical ID:
6758895
Name [?]:
2,3-diphenyl-1H-indole-7-carboxylate
SMILES [?]:
c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)[O-]
InChi [?]:
InChI=1/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,2,6,18,20,10,3,5,17,21,9,11,4,16,8,12,7,15,13,22,14,23,24/E:(3,4)(5,6)(8,9)(10,11)(23,24)/rA:24nCCCCCCCCCCCCCNCCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s16;d17;s18;d19;d16s20;s12;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14NO2- |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.8918 |
Area: | 503.91 |
Solvation: | -43.4895 |
Coulombic: | -15.3392 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.341 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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