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Chemical ID: 7456149
Chemical ID:
7456149
Name [?]:
[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(c3nnc(o3)SCc4ccc(cc4)Cl)[NH3+]
InChi [?]:
InChI=1/C19H17ClN4OS/c20-14-7-5-12(6-8-14)11-26-19-24-23-18(25-19)16(21)9-13-10-22-17-4-2-1-3-15(13)17/h1-8,10,16,22H,9,11,21H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,24,21,23,10,8,18,19,7,22,5,11,4,12,15,25,26,9,13,14,16,17/E:(5,6)(7,8)/rA:26cCCCCCCCCNCCCNNCOSCCCCCCCClN+/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s13;d14;s12s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClN4OS+ |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -24.5899 |
Area: | 609.117 |
Solvation: | -39.8178 |
Coulombic: | 17.8802 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.891 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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