ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7690376

Chemical ID:

7690376

Name [?]:

None

SMILES [?]:

c1cc2c(cc1c3cn4cc(ccc4n3)Cl)OCCO2

InChi [?]:

InChI=1/C15H11ClN2O2/c16-11-2-4-15-17-12(9-18(15)8-11)10-1-3-13-14(7-10)20-6-5-19-13/h1-4,7-9H,5-6H2

InChi Info:

AuxInfo=1/0/N:1,12,2,13,19,18,5,10,8,6,11,7,3,4,14,16,15,9,20,17/rA:20nCCCCCCCCNCCCCCNClOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s11;s4;s17;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁ClN₂O₂
All Atoms:	31
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.26513
Area:	459.125
Solvation:	-3.213
Coulombic:	-28.1562

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.1
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