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Chemical ID: 7029107
Chemical ID:
7029107
Name [?]:
N'-benzoyl-5-(4-chlorophenyl)-furan-2-carbohydrazide
SMILES [?]:
c1ccc(cc1)C(=O)NNC(=O)c2ccc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClN2O3/c19-14-8-6-12(7-9-14)15-10-11-16(24-15)18(23)21-20-17(22)13-4-2-1-3-5-13/h1-11H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,23,20,22,15,14,18,4,21,16,13,7,11,24,9,10,8,12,17/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCONNCOCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2O3 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2733 |
Area: | 570.278 |
Solvation: | -2.98362 |
Coulombic: | -49.5696 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.76 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.3 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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