Chemical ID: 5154605

c1ccc(cc1)S(=O)(=O)C2=Cc3cccc4c3c2ccc4
Chemical ID:
5154605
Name [?]:
1-phenylsulfonylacenaphthlene
SMILES [?]:
c1ccc(cc1)S(=O)(=O)C2=Cc3cccc4c3c2ccc4
InChi [?]:
InChI=1/C18H12O2S/c19-21(20,15-9-2-1-3-10-15)17-12-14-8-4-6-13-7-5-11-16(17)18(13)14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,20,15,21,13,3,5,19,11,16,12,4,18,10,17,8,9,7/E:(2,3)(9,10)(19,20)/CRV:21.6/rA:21nCCCCCCSOOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;d10;s11;s12;d13;s14;d15;d12s16;s10s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.4798
Area:452.052
Solvation:-1.8215
Coulombic:-8.23548
Bond Count [?]
All:24
Single:13
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.353
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.37
LogP (Chemaxon):3.31

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Descriptor Annotations

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