Chemical ID: 6465597

CN1c2cc(ccc2OCC1=O)c3c4ccccc4c(=O)[nH]n3
Chemical ID:
6465597
Name [?]:
10-methyl-3-(4-oxo-3H-phthalazin-1-yl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CN1c2cc(ccc2OCC1=O)c3c4ccccc4c(=O)[nH]n3
InChi [?]:
InChI=1/C17H13N3O3/c1-20-13-8-10(6-7-14(13)23-9-15(20)21)16-11-4-2-3-5-12(11)17(22)19-18-16/h2-8H,9H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,6,7,4,10,5,14,19,3,8,11,13,20,23,22,2,12,21,9/rA:23nCNCCCCCCOCCOCCCCCCCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;d11;s5;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;d13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.34845
Area:476.059
Solvation:-3.55303
Coulombic:-45.9266
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:307.304
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.6
LogP (Chemaxon):1.5

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Descriptor Annotations

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