Chemical ID: 5410898

COC(=O)c1ccc(cc1)Oc2c3ccsc3ncn2
Chemical ID:
5410898
Name [?]:
methyl 4-(7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yloxy)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)Oc2c3ccsc3ncn2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H10N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.13146
Area:468.092
Solvation:-2.57083
Coulombic:-40.1189
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.74
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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