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Chemical ID: 5002675
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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