Chemical ID: 5579163

C1CSc2n1c(c(n2)Cl)CO
Chemical ID:
5579163
Name [?]:
(3-chloro-8-thia-2,5-diazabicyclo[3.3.0]octa-1,3-dien-4-yl)methanol
SMILES [?]:
C1CSc2n1c(c(n2)Cl)CO
InChi [?]:
InChI=1/C6H7ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h10H,1-3H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,7,4,9,8,5,11,3/rA:11nCCSCNCCNClCO/rB:s1;s2;s3;s1s4;s5;d6;d4s7;s7;s6;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7ClN2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.84303
Area:333.001
Solvation:-2.48199
Coulombic:-29.6306
Bond Count [?]
All:12
Single:10
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.651
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.89
LogP (Chemaxon):1.25

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Descriptor Annotations

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