Chemical ID: 5579164

Cc1c(n2ccsc2n1)CO
Chemical ID:
5579164
Name [?]:
(7-methyl-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-8-yl)methanol
SMILES [?]:
Cc1c(n2ccsc2n1)CO
InChi [?]:
InChI=1/C7H8N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h2-3,10H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,10,2,3,8,9,4,11,7/rA:11nCCCNCCSCNCO/rB:s1;d2;s3;s4;d5;s6;s4s7;s2d8;s3;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.20264
Area:316.127
Solvation:-2.70053
Coulombic:-27.5156
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:168.217
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.74
LogP (Chemaxon):0.39

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Descriptor Annotations

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