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Chemical ID: 5866545
Chemical ID:
5866545
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILES [?]:
c1ccc2c(c1)cc([nH]2)C(=O)NCCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C19H17N3O/c23-19(18-11-13-5-1-3-7-16(13)22-18)20-10-9-14-12-21-17-8-4-2-6-15(14)17/h1-8,11-12,21-22H,9-10H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,21,2,22,6,20,3,23,14,13,7,16,5,15,19,4,18,8,10,12,17,9,11/rA:23nCCCCCCCCNCONCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;s12;s13;s14;d15;s16;s17;s15s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6367 |
Area: | 523.905 |
Solvation: | -2.46095 |
Coulombic: | -46.4243 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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