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Chemical ID: 5576751
Chemical ID:
5576751
Name [?]:
phenyl-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,7,4,6,2,10,5,8,9/E:(3,4)(5,6)(7,8)(9,10)/rA:15nCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9495 |
Area: | 377.098 |
Solvation: | -1.47795 |
Coulombic: | -12.156 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 196.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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