Chemical ID: 6435972

c1ccc(cc1)SN2CCCCCC2=O
Chemical ID:
6435972
Name [?]:
1-phenylsulfanylazepan-2-one
SMILES [?]:
c1ccc(cc1)SN2CCCCCC2=O
InChi [?]:
InChI=1/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,12,10,3,5,13,9,4,14,8,15,7/E:(3,4)(7,8)/rA:15nCCCCCCSNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s8s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NOS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.41403
Area:377.78
Solvation:-2.03047
Coulombic:-15.3707
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:221.32
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.81
LogP (Chemaxon):2.69

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