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Chemical ID: 6302688
Chemical ID:
6302688
Name [?]:
3-[(4-isopropylphenoxy)methyl]benzohydrazide
SMILES [?]:
CC(C)c1ccc(cc1)OCc2cccc(c2)C(=O)NN
InChi [?]:
InChI=1/C17H20N2O2/c1-12(2)14-6-8-16(9-7-14)21-11-13-4-3-5-15(10-13)17(20)19-18/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,15,5,9,6,8,17,11,2,12,4,16,7,18,21,20,19,10/E:(1,2)(6,7)(8,9)/rA:21nCCCCCCCCCOCCCCCCCCONN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02262 |
Area: | 513.723 |
Solvation: | -3.82045 |
Coulombic: | -37.8064 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 284.353 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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