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Chemical ID: 4821593
Chemical ID:
4821593
Name [?]:
5-[(2-isopropyl-5-methyl-phenoxy)methyl]furan-2-carbohydrazide
SMILES [?]:
Cc1ccc(c(c1)OCc2ccc(o2)C(=O)NN)C(C)C
InChi [?]:
InChI=1/C16H20N2O3/c1-10(2)13-6-4-11(3)8-15(13)20-9-12-5-7-14(21-12)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:20,21,1,3,11,4,12,7,9,19,2,10,5,13,6,15,18,17,16,8,14/E:(1,2)/rA:21nCCCCCCCOCCCCCOCONNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;s5;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08252 |
Area: | 514.62 |
Solvation: | -3.78297 |
Coulombic: | -45.8447 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 288.342 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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