ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7690374

Chemical ID:

7690374

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)NCCOCCO

InChi [?]:

InChI=1/C18H17NO4/c20-8-10-23-9-7-19-12-5-6-15-16(11-12)18(22)14-4-2-1-3-13(14)17(15)21/h1-6,11,19-20H,7-10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,11,10,18,22,19,21,13,12,5,4,9,14,7,15,17,23,8,16,20/rA:23nCCCCCCCOCCCCCCCONCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s4s14;d15;s12;s17;s18;s19;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇NO₄
All Atoms:	40
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	7.26406
Area:	525.694
Solvation:	-5.87829
Coulombic:	-52.7444

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.85
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