ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7697906

Chemical ID:

7697906

Name [?]:

None

SMILES [?]:

CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccccc2Cl

InChi [?]:

InChI=1/C17H17ClN2O2/c1-2-6-16(21)19-13-8-5-7-12(11-13)17(22)20-15-10-4-3-9-14(15)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,19,18,9,3,10,8,20,17,12,11,7,21,16,4,13,22,6,15,5,14/rA:22nCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇ClN₂O₂
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3324
Area:	527.595
Solvation:	-2.85743
Coulombic:	-43.1431

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.69
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