ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7707233

Chemical ID:

7707233

Name [?]:

None

SMILES [?]:

CCOc1cccc(c1)NC(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C15H14ClNO2/c1-2-19-14-5-3-4-13(10-14)17-15(18)11-6-8-12(16)9-7-11/h3-10H,2H2,1H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,7,5,14,18,15,17,9,13,16,8,4,11,19,10,12,3/E:(6,7)(8,9)/rA:19nCCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄ClNO₂
All Atoms:	33
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.81149
Area:	478.422
Solvation:	-3.14906
Coulombic:	-30.2502

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.95
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