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Chemical ID: 7261092
Chemical ID:
7261092
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-pyrrole-2-carboxamide
SMILES [?]:
Cn1cccc1C(=O)NCCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C16H17N3O/c1-19-10-4-7-15(19)16(20)17-9-8-12-11-18-14-6-3-2-5-13(12)14/h2-7,10-11,18H,8-9H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,4,17,20,5,11,10,3,13,12,16,15,6,7,9,14,2,8/rA:20nCNCCCCCONCCCCNCCCCCC/rB:s1;s2;d3;s4;s2d5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3602 |
Area: | 478.739 |
Solvation: | -2.60826 |
Coulombic: | -40.0736 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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