Chemical ID: 7698805

CCC(CC)C(=O)Nc1cccc(c1)SC
Chemical ID:
7698805
Name [?]:
None
SMILES [?]:
CCC(CC)C(=O)Nc1cccc(c1)SC
InChi [?]:
InChI=1/C13H19NOS/c1-4-10(5-2)13(15)14-11-7-6-8-12(9-11)16-3/h6-10H,4-5H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,11,10,12,14,3,9,13,6,8,7,15/E:(1,2)(4,5)/rA:16nCCCCCCONCCCCCCSC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NOS
All Atoms:35
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:9.14634
Area:438.8
Solvation:-1.82366
Coulombic:-22.4416
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.7
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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