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Chemical ID: 4718569
Chemical ID:
4718569
Name [?]:
N'-cyclopropylcarbonyl-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide
SMILES [?]:
c1cc(cc(c1)F)CN2CCC(CC2)C(=O)NNC(=O)C3CC3
InChi [?]:
InChI=1/C17H22FN3O2/c18-15-3-1-2-12(10-15)11-21-8-6-14(7-9-21)17(23)20-19-16(22)13-4-5-13/h1-3,10,13-14H,4-9,11H2,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,11,13,10,14,4,8,3,21,12,5,19,15,7,18,17,9,20,16/E:(4,5)(6,7)(8,9)/rA:23nCCCCCCFCNCCCCCCONNCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22FN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12178 |
Area: | 539.498 |
Solvation: | -4.36567 |
Coulombic: | -43.6596 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.374 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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