ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7517087

Chemical ID:

7517087

Name [?]:

1-[4-[(4-chloro-3-methyl-phenoxy)methyl]phenyl]ethanone

SMILES [?]:

Cc1cc(ccc1Cl)OCc2ccc(cc2)C(=O)C

InChi [?]:

InChI=1/C16H15ClO2/c1-11-9-15(7-8-16(11)17)19-10-13-3-5-14(6-4-13)12(2)18/h3-9H,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,12,16,13,15,5,6,3,10,2,17,11,14,4,7,8,18,9/E:(3,4)(5,6)/rA:19nCCCCCCCClOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅ClO₂
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.74737
Area:	482.299
Solvation:	-3.31009
Coulombic:	-17.0835

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.33
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value