Chemical ID: 6471677

CC12CCC3=C(C1CCCC2=O)CSc4c3ccc(c4)OC
Chemical ID:
6471677
Name [?]:
None
SMILES [?]:
CC12CCC3=C(C1CCCC2=O)CSc4c3ccc(c4)OC
InChi [?]:
InChI=1/C19H22O2S/c1-19-9-8-13-14-7-6-12(21-2)10-17(14)22-11-15(13)16(19)4-3-5-18(19)20/h6-7,10,16H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,9,8,10,18,17,4,3,20,13,19,5,16,6,7,15,11,2,12,21,14/rA:22cCCCCCCCCCCCOCSCCCCCCOC/rB:s1;s2;s3;s4;d5;s2s6;s7;s8;s9;s2s10;d11;s6;s13;s14;s5s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.51606
Area:473.24
Solvation:-3.31493
Coulombic:-16.2824
Bond Count [?]
All:25
Single:20
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:314.443
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.01
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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