ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7656743

Chemical ID:

7656743

Name [?]:

None

SMILES [?]:

c1cc(ccc1N2CCN(CC2)C(=O)CCl)O

InChi [?]:

InChI=1/C12H15ClN2O2/c13-9-12(17)15-7-5-14(6-8-15)10-1-3-11(16)4-2-10/h1-4,16H,5-9H2

InChi Info:

AuxInfo=1/0/N:1,5,2,4,8,12,9,11,15,6,3,13,16,7,10,17,14/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCNCCNCCCOCClO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₅ClN₂O₂
All Atoms:	32
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	6.74718
Area:	431.988
Solvation:	-4.05252
Coulombic:	-37.4389

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.49
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