ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7686308

Chemical ID:

7686308

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CNC(=O)c2cc(cc(c2)O)O

InChi [?]:

InChI=1/C14H13NO3/c16-12-6-11(7-13(17)8-12)14(18)15-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2,(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,12,16,14,7,4,11,13,15,9,8,18,17,10/E:(2,3)(4,5)(6,7)(12,13)(16,17)/rA:18nCCCCCCCNCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃NO₃
All Atoms:	31
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	7.56314
Area:	443.783
Solvation:	-3.53143
Coulombic:	-54.4971

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.33
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