Chemical ID: 5259596

CN(C)c1c2c(oc(=O)c1Cl)-c3ccccc3SCC2
Chemical ID:
5259596
Name [?]:
None
SMILES [?]:
CN(C)c1c2c(oc(=O)c1Cl)-c3ccccc3SCC2
InChi [?]:
InChI=1/C15H14ClNO2S/c1-17(2)13-10-7-8-20-11-6-4-3-5-9(11)14(10)19-15(18)12(13)16/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,20,19,12,5,17,10,4,6,8,11,2,9,7,18/E:(1,2)/rA:20nCNCCCCOCOCClCCCCCCSCC/rB:s1;s2;s2;s4;d5;s6;s7;d8;d4s8;s10;s6;s12;d13;s14;d15;d12s16;s17;s18;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.01567
Area:443.711
Solvation:-2.0771
Coulombic:-28.0115
Bond Count [?]
All:22
Single:16
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:307.796
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.48

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Descriptor Annotations

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