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Chemical ID: 4831043
Chemical ID:
4831043
Name [?]:
5-(2-methoxyphenyl)-2H-pyrazole-3-carbohydrazide
SMILES [?]:
COc1ccccc1c2cc([nH]n2)C(=O)NN
InChi [?]:
InChI=1/C11H12N4O2/c1-17-10-5-3-2-4-7(10)8-6-9(15-14-8)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,10,8,9,11,3,14,17,16,13,12,15,2/rA:17nCOCCCCCCCCCNNCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d9s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N4O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.51494 |
Area: | 412.776 |
Solvation: | -4.80445 |
Coulombic: | -44.4192 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 232.239 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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