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Chemical ID: 4712963
Chemical ID:
4712963
Name [?]:
6-(2-pyridylmethyl)pyridazin-3-ol
SMILES [?]:
c1ccnc(c1)Cc2ccc(nn2)O
InChi [?]:
InChI=1/C10H9N3O/c14-10-5-4-9(12-13-10)7-8-3-1-2-6-11-8/h1-6H,7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,3,7,5,8,11,4,13,12,14/rA:14nCCCNCCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.65357 |
Area: | 358.104 |
Solvation: | -3.29903 |
Coulombic: | -23.9746 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.198 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.94 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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