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Chemical ID: 7680210

Cc1c2c(cc(nc2n(n1)c3ccccc3)C4CC4)C(=O)Nc5c(cccc5Cl)Cl

Chemical ID:

7680210

Name [?]:

None

SMILES [?]:

Cc1c2c(cc(nc2n(n1)c3ccccc3)C4CC4)C(=O)Nc5c(cccc5Cl)Cl

InChi [?]:

InChI=1/C23H18Cl2N4O/c1-13-20-16(23(30)27-21-17(24)8-5-9-18(21)25)12-19(14-10-11-14)26-22(20)29(28-13)15-6-3-2-4-7-15/h2-9,12,14H,10-11H2,1H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,26,12,16,25,27,18,19,5,2,17,11,4,24,28,6,3,23,8,20,30,29,7,22,10,9,21/E:(3,4)(6,7)(8,9)(10,11)(17,18)(24,25)/rA:30nCCCCCCNCNNCCCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;d12;s13;d14;d11s15;s6;s17;s17s18;s4;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈Cl₂N₄O
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	12.538
Area:	611.709
Solvation:	-2.7547
Coulombic:	-33.7855

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.88
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

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