Chemical ID: 7406519

Cc1cccn2c1nc3c(c2=O)cc(c(=O)n3CCOC)C#N
Chemical ID:
7406519
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc3c(c2=O)cc(c(=O)n3CCOC)C#N
InChi [?]:
InChI=1/C16H14N4O3/c1-10-4-3-5-19-13(10)18-14-12(16(19)22)8-11(9-17)15(21)20(14)6-7-23-2/h3-5,8H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,4,3,5,18,19,13,22,2,14,10,7,9,15,11,23,8,6,17,16,12,20/rA:23nCCCCCNCNCCCOCCCONCCOCCN/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;d15;s9s15;s17;s18;s19;s20;s14;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4O3
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.91031
Area:483.026
Solvation:-4.16534
Coulombic:-47.8574
Bond Count [?]
All:25
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.308
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-1.06
LogP (Chemaxon):1.51

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Descriptor Annotations

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