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Chemical ID: 7198205
Chemical ID:
7198205
Name [?]:
5-[(4-iodophenoxy)methyl]furan-2-carbohydrazide
SMILES [?]:
c1cc(ccc1OCc2ccc(o2)C(=O)NN)I
InChi [?]:
InChI=1/C12H11IN2O3/c13-8-1-3-9(4-2-8)17-7-10-5-6-11(18-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,11,8,3,6,9,12,14,18,17,16,15,7,13/E:(1,2)(3,4)/rA:18nCCCCCCOCCCCCOCONNI/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;s9s12;s12;d14;s14;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11IN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09604 |
Area: | 476.769 |
Solvation: | -3.8232 |
Coulombic: | -44.9724 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.132 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.83 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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