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Chemical ID: 4709269
Chemical ID:
4709269
Name [?]:
3-pyrrol-1-yl-1H-indazole
SMILES [?]:
c1ccc2c(c1)c(n[nH]2)n3cccc3
InChi [?]:
InChI=1/C11H9N3/c1-2-6-10-9(5-1)11(13-12-10)14-7-3-4-8-14/h1-8H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,3,11,14,5,4,7,9,8,10/E:(3,4)(7,8)/rA:14nCCCCCCCNNNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;d11;s12;s10d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.73263 |
Area: | 343.834 |
Solvation: | -1.86322 |
Coulombic: | -17.2455 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 183.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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