ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7702094

Chemical ID:

7702094

Name [?]:

None

SMILES [?]:

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

InChi [?]:

InChI=1/C18H19ClN2O2/c1-2-3-11-17(22)20-14-8-6-7-13(12-14)18(23)21-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,3,20,19,10,11,9,21,18,4,13,12,8,22,17,5,14,23,7,16,6,15/rA:23nCCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉ClN₂O₂
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	11.0193
Area:	555.272
Solvation:	-2.86249
Coulombic:	-43.4426

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.26
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

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Chemical Mix	Source	External ID	Descriptor	Value