Chemical ID: 4671610

c1ccc(cc1)Sc2cc3ccccc3[nH]2
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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