Chemical ID: 4619257

c1cc2c(cc1N)nsn2
Chemical ID:
4619257
Name [?]:
8-thia-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-4-amine
SMILES [?]:
c1cc2c(cc1N)nsn2
InChi [?]:
InChI=1/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,7,10,8,9/rA:10nCCCCCCNNSN/rB:d1;s2;s3;s4;s1d5;s6;d4;s8;d3s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.21087
Area:287.83
Solvation:-0.984892
Coulombic:-24.1509
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.19
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.39
LogP (Chemaxon):1.34

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Descriptor Annotations

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