ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7696510

Chemical ID:

7696510

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CC(=O)Nc2cc(ccc2O)Cl

InChi [?]:

InChI=1/C14H12ClNO2/c15-11-6-7-13(17)12(9-11)16-14(18)8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,15,7,12,4,13,11,16,8,18,10,17,9/E:(2,3)(4,5)/rA:18nCCCCCCCCONCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂ClNO₂
All Atoms:	30
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.3709
Area:	448.379
Solvation:	-2.83857
Coulombic:	-38.0638

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:	3.45
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