Chemical ID: 6423446

CC1C(=O)Nc2cc(ccc2S1)N
Chemical ID:
6423446
Name [?]:
3-amino-8-methyl-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1C(=O)Nc2cc(ccc2S1)N
InChi [?]:
InChI=1/C9H10N2OS/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,7,2,8,6,11,3,13,5,4,12/rA:13cCCCONCCCCCCSN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.82502
Area:341.869
Solvation:-1.7217
Coulombic:-37.6253
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:194.255
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.69
LogP (Chemaxon):1.17

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Descriptor Annotations

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