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Chemical ID: 6047816
Chemical ID:
6047816
Name [?]:
ethyl 1H-indazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)cn[nH]2
InChi [?]:
InChI=1/C10H10N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,11,12,6,10,9,4,13,14,5,3/rA:14nCCOCOCCCCCCCNN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79357 |
Area: | 365.536 |
Solvation: | -2.34482 |
Coulombic: | -28.972 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 190.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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