ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7655263

Chemical ID:

7655263

Name [?]:

None

SMILES [?]:

c1ccc(cc1)COC(=O)NC2CCC(=O)NC2=O

InChi [?]:

InChI=1/C13H14N2O4/c16-11-7-6-10(12(17)15-11)14-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,14,7,4,12,15,18,9,11,17,16,19,10,8/E:(2,3)(4,5)/rA:19cCCCCCCCOCONCCCCONCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;d15;s15;s12s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₂O₄
All Atoms:	33
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.23884
Area:	457.021
Solvation:	-4.18669
Coulombic:	-61.6343

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.14
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

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

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