Chemical ID: 5002675

c1ccc(cc1)C(=O)c2ccc(cc2)Sc3ccccc3
Chemical ID:
5002675
Name [?]:
phenyl-(4-phenylsulfanylphenyl)-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)Sc3ccccc3
InChi [?]:
InChI=1/C19H14OS/c20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h1-14H
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,17,21,10,14,11,13,4,9,16,12,7,8,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCCCCOCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4376
Area:488.851
Solvation:-1.78372
Coulombic:-14.4459
Bond Count [?]
All:23
Single:13
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.38
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.77
LogP (Chemaxon):5.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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