Chemical ID: 7444232

c1ccc(c(c1)CSc2nnc(o2)C(Cc3c[nH]c4c3cccc4)[NH3+])F
Chemical ID:
7444232
Name [?]:
[1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium
SMILES [?]:
c1ccc(c(c1)CSc2nnc(o2)C(Cc3c[nH]c4c3cccc4)[NH3+])F
InChi [?]:
InChI=1/C19H17FN4OS/c20-15-7-3-1-5-12(15)11-26-19-24-23-18(25-19)16(21)9-13-10-22-17-8-4-2-6-14(13)17/h1-8,10,16,22H,9,11,21H2/p+1
InChi Info:
AuxInfo=1/1/N:1,22,2,23,6,21,3,24,15,17,7,5,16,20,4,14,19,12,9,26,25,18,11,10,13,8/rA:26cCCCCCCCSCNNCOCCCCNCCCCCCN+F/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18FN4OS+
All Atoms:44
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-25.7297
Area:578.161
Solvation:-40.1838
Coulombic:14.3177
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.437
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.47
LogP (Chemaxon):3.99

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Descriptor Annotations

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