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Chemical ID: 7706135

c1cc(cc(c1)Br)C=NNC(=O)c2ccc(cc2)OCc3ccc(cc3)Cl

Chemical ID:

7706135

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)Br)C=NNC(=O)c2ccc(cc2)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C21H16BrClN2O2/c22-18-3-1-2-16(12-18)13-24-25-21(26)17-6-10-20(11-7-17)27-14-15-4-8-19(23)9-5-15/h1-13H,14H2,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,22,26,14,18,23,25,15,17,4,8,20,21,3,13,5,24,16,11,7,27,9,10,12,19/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCBrCNNCOCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆BrClN₂O₂
All Atoms:	43
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6302
Area:	651.698
Solvation:	-4.66225
Coulombic:	-29.8067

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.04
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