Chemical ID: 7247137

c1cc(c(cc1Br)Cl)S(=O)(=O)N2CCCCCC2
Chemical ID:
7247137
Name [?]:
1-(4-bromo-2-chloro-phenyl)sulfonylazepane
SMILES [?]:
c1cc(c(cc1Br)Cl)S(=O)(=O)N2CCCCCC2
InChi [?]:
InChI=1/C12H15BrClNO2S/c13-10-5-6-12(11(14)9-10)18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2
InChi Info:
AuxInfo=1/0/N:15,16,14,17,1,2,13,18,5,6,4,3,7,8,12,10,11,9/E:(1,2)(3,4)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCBrClSOONCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;d9;s9;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15BrClNO2S
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.17431
Area:435.911
Solvation:-1.72346
Coulombic:-8.38005
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:352.676
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):3.6

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Descriptor Annotations

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