Chemical ID: 4564783

Cn1c2c(c(=O)n(c1=O)C)n3cc([nH]c3n2)c4ccccc4
Chemical ID:
4564783
Name [?]:
None
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n3cc([nH]c3n2)c4ccccc4
InChi [?]:
InChI=1/C15H13N5O2/c1-18-12-11(13(21)19(2)15(18)22)20-8-10(16-14(20)17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,12,17,13,4,3,5,15,8,14,16,2,7,11,6,9/E:(4,5)(6,7)/rA:22nCNCCCONCOCNCCNCNCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s13;s11s14;s3d15;s13;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N5O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.48503
Area:470.522
Solvation:-2.27803
Coulombic:-60.2623
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:295.296
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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