Chemical ID: 7698819

CC(C)CC(=O)Nc1cccc(c1)SC
Chemical ID:
7698819
Name [?]:
None
SMILES [?]:
CC(C)CC(=O)Nc1cccc(c1)SC
InChi [?]:
InChI=1/C12H17NOS/c1-9(2)7-12(14)13-10-5-4-6-11(8-10)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,10,9,11,4,13,2,8,12,5,7,6,14/E:(1,2)/rA:15nCCCCCONCCCCCCSC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NOS
All Atoms:32
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:8.379
Area:417.37
Solvation:-2.05525
Coulombic:-21.5493
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.35
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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