Chemical ID: 4944137

c1ccc2c(c1)-c3c(cn[nH]3)CCS2
Chemical ID:
4944137
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(cn[nH]3)CCS2
InChi [?]:
InChI=1/C11H10N2S/c1-2-4-10-9(3-1)11-8(5-6-14-10)7-12-13-11/h1-4,7H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,9,8,5,4,7,10,11,14/rA:14nCCCCCCCCCNNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s8;s12;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.7472
Area:345.599
Solvation:-1.89278
Coulombic:-10.7752
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:202.277
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):2.35

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Descriptor Annotations

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