Chemical ID: 6506425

c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
Chemical ID:
6506425
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(c(=O)o2)C=Nc4ccccc4N3
InChi [?]:
InChI=1/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChi Info:
AuxInfo=1/0/N:1,16,17,2,6,15,18,3,12,5,8,14,19,4,7,9,13,20,10,11/rA:20nCCCCCCCCCOOCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;s14;d15;s16;d17;d14s18;s7s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.19084
Area:416.963
Solvation:-2.23324
Coulombic:-36.7811
Bond Count [?]
All:23
Single:14
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:262.263
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.94
LogP (Chemaxon):3.52

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Descriptor Annotations

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