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Chemical ID: 7968115
Chemical ID:
7968115
Name [?]:
1-methyl-5-phenyl-pyrazole-3-carbohydrazide
SMILES [?]:
Cn1c(cc(n1)C(=O)NN)c2ccccc2
InChi [?]:
InChI=1/C11H12N4O/c1-15-10(8-5-3-2-4-6-8)7-9(14-15)11(16)13-12/h2-7H,12H2,1H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,4,11,5,3,7,10,9,6,2,8/E:(3,4)(5,6)/rA:16nCNCCCNCONNCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s3;s11;d12;s13;d14;d11s15;/rC:.5739,1.4006,-.0678;.2628,-.0305,-.0323;-.0898,-.7816,-1.1145;-.2938,-2.0552,-.6621;-.0437,-2.0056,.7264;.2873,-.7641,1.0219;-.1319,-3.1368,1.6727;-.4459,-4.241,1.2725;.1358,-2.9446,2.9795;.0542,-3.9905,3.8544;-.2255,-.3087,-2.5104;.4195,.8582,-2.9203;.2891,1.2939,-4.223;-.4795,.5761,-5.1218;-1.1221,-.5817,-4.7212;-.9944,-1.0311,-3.4229;
Chemical Details
Atom Count
Formula: | C18H27NO5S |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24939 |
Area: | 395.803 |
Solvation: | -2.64567 |
Coulombic: | -34.4511 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.239 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.88 |
LogP (Chemaxon): | 0.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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