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Chemical ID: 7678669

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

Chemical ID:

7678669

Name [?]:

None

SMILES [?]:

c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

InChi [?]:

InChI=1/C19H13ClN6O4/c20-11-2-1-3-13(6-11)26-18-17(23-24-26)19(28)25(9-21-18)8-16(27)22-12-4-5-14-15(7-12)30-10-29-14/h1-7,9H,8,10H2,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,6,2,21,22,4,25,16,14,27,5,20,3,23,24,17,10,9,11,7,15,19,29,30,13,8,18,12,28,26/rA:30nCCCCCCClNCCCONCNCCONCCCCCCOCONN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;s10;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₃ClN₆O₄
All Atoms:	43
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0817
Area:	622.833
Solvation:	-5.48914
Coulombic:	-63.5806

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:	1.58
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