Chemical ID: 5624556

c1ccc2c(c1)c(=O)[nH]c(n2)c3cccnc3
Chemical ID:
5624556
Name [?]:
2-(3-pyridyl)-3H-quinazolin-4-one
SMILES [?]:
c1ccc2c(c1)c(=O)[nH]c(n2)c3cccnc3
InChi [?]:
InChI=1/C13H9N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,6,3,15,17,12,5,4,10,7,16,11,9,8/rA:17nCCCCCCCONCNCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.58824
Area:392.477
Solvation:-2.2237
Coulombic:-32.1302
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:223.23
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.4
LogP (Chemaxon):1.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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