Chemical ID: 4938354

CC1=NNC(=O)C1C2CC(=NNC2=O)c3c[nH]c4c3cccc4
Chemical ID:
4938354
Name [?]:
6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-2H-pyridazin-3-one
SMILES [?]:
CC1=NNC(=O)C1C2CC(=NNC2=O)c3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C16H15N5O2/c1-8-14(16(23)21-18-8)10-6-13(19-20-15(10)22)11-7-17-12-5-3-2-4-9(11)12/h2-5,7,10,14,17H,6H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,9,16,2,19,8,15,18,10,7,13,5,17,3,11,12,4,14,6/rA:23cCCNNCOCCCCNNCOCCNCCCCCC/rB:s1;d2;s3;s4;d5;s2s5;s7;s8;s9;d10;s11;s8s12;d13;s10;d15;s16;s17;s15s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N5O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.55373
Area:479.986
Solvation:-3.44592
Coulombic:-46.9417
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.323
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.42
LogP (Chemaxon):1.53

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Descriptor Annotations

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