Chemical ID: 5771380

c1ccc2c(c1)c3c(n2CC(=O)NCCO)nc4ccccc4n3
Chemical ID:
5771380
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(n2CC(=O)NCCO)nc4ccccc4n3
InChi [?]:
InChI=1/C18H16N4O2/c23-10-9-19-16(24)11-22-15-8-4-1-5-12(15)17-18(22)21-14-7-3-2-6-13(14)20-17/h1-8,23H,9-11H2,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,2,6,22,19,3,14,15,10,5,23,18,4,11,7,8,13,24,17,9,16,12/rA:24nCCCCCCCCNCCONCCONCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s11;s13;s14;s15;d8;s17;s18;d19;s20;d21;d18s22;d7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N4O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.65329
Area:522.053
Solvation:-4.39803
Coulombic:-56.7013
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.345
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.54
LogP (Chemaxon):2.58

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