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Chemical ID: 4823735
Chemical ID:
4823735
Name [?]:
5-(indan-5-yloxymethyl)furan-2-carbohydrazide
SMILES [?]:
c1cc2c(cc1OCc3ccc(o3)C(=O)NN)CCC2
InChi [?]:
InChI=1/C15H16N2O3/c16-17-15(18)14-7-6-13(20-14)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:19,20,18,2,1,10,11,5,8,3,4,6,9,12,14,17,16,15,7,13/rA:20nCCCCCCOCCCCCOCONNCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;s9s12;s12;d14;s14;s16;s4;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10782 |
Area: | 478.399 |
Solvation: | -3.85216 |
Coulombic: | -44.9766 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.299 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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