Chemical ID: 5161666

c1ccc2c(c1)c-3csccc3n2
Chemical ID:
5161666
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c-3csccc3n2
InChi [?]:
InChI=1/C11H7NS/c1-2-4-10-8(3-1)9-7-13-6-5-11(9)12-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,10,8,5,7,4,12,13,9/rA:13nCCCCCCCCSCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s7s11;s4d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.21137
Area:335.674
Solvation:-1.18048
Coulombic:-7.41333
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:185.246
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.57
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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