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Chemical ID: 4671610
Chemical ID:
4671610
Name [?]:
2-phenylsulfanyl-1H-indole
SMILES [?]:
c1ccc(cc1)Sc2cc3ccccc3[nH]2
InChi [?]:
InChI=1/C14H11NS/c1-2-7-12(8-3-1)16-14-10-11-6-4-5-9-13(11)15-14/h1-10,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,11,3,5,14,9,10,4,15,8,16,7/E:(2,3)(7,8)/rA:16nCCCCCCSCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11NS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96114 |
Area: | 401.3 |
Solvation: | -1.07136 |
Coulombic: | -14.9552 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 225.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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