Chemical ID: 5231787

c1ccc(cc1)SCC2(CCCC=C2)O
Chemical ID:
5231787
Name [?]:
1-(phenylsulfanylmethyl)cyclohex-2-en-1-ol
SMILES [?]:
c1ccc(cc1)SCC2(CCCC=C2)O
InChi [?]:
InChI=1/C13H16OS/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-5,7-9,14H,2,6,10-11H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,13,11,3,5,14,10,8,4,9,15,7/E:(3,4)(7,8)/rA:15cCCCCCCSCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9d13;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.23018
Area:399.059
Solvation:-1.7463
Coulombic:-20.9711
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.332
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.26
LogP (Chemaxon):3.21

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Descriptor Annotations

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