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Chemical ID: 3966311

Chemical ID:

3966311

Name [?]:

4-chloro-9-methyl-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,9,11-tetraene 7,7-dioxide

SMILES [?]:

CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl

InChi [?]:

InChI=1/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)

InChi Info:

AuxInfo=1/1/N:1,6,5,8,2,7,4,9,14,3,13,11,12,10/E:(12,13)/CRV:14.6/rA:14nCCNCCCCCCSOONCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;d10;s2s10;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₈H₇ClN₂O₂S
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	0

ZAP Information [?]

Total:	7.21427
Area:	367.161
Solvation:	-1.96476
Coulombic:	-16.1898

Bond Count [?]

All:	15
Single:	9
Double:	6
Rotors:	0
Chiral:	0
Rigid Segments:	1

Chemical Properties

Molecular Weight:	230.672
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.28
LogP (Chemaxon):	1.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value