ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7715288

Chemical ID:

7715288

Name [?]:

None

SMILES [?]:

CCOc1cc(c(cc1OCC)Cl)NC(=O)c2ccco2

InChi [?]:

InChI=1/C15H16ClNO4/c1-3-19-13-8-10(16)11(9-14(13)20-4-2)17-15(18)12-6-5-7-21-12/h5-9H,3-4H2,1-2H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:12,1,11,2,19,18,20,8,5,7,6,17,9,4,15,13,14,16,10,3,21/rA:21nCCOCCCCCCOCCClNCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s6;s14;d15;s15;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆ClNO₄
All Atoms:	37
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.02911
Area:	511.681
Solvation:	-4.76292
Coulombic:	-44.2881

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.72
LogP (Chemaxon):	None

Name Annotations

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

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