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Chemical ID: 5566352
Chemical ID:
5566352
Name [?]:
N'-(2-fluorobenzoyl)-3-nitro-4-(1-piperidyl)benzohydrazide
SMILES [?]:
c1ccc(c(c1)C(=O)NNC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)F
InChi [?]:
InChI=1/C19H19FN4O4/c20-15-7-3-2-6-14(15)19(26)22-21-18(25)13-8-9-16(17(12-13)24(27)28)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,25)(H,22,26)
InChi Info:
AuxInfo=1/1/N:25,1,2,24,26,6,3,14,15,23,27,18,13,5,4,16,17,11,7,28,10,9,22,19,12,8,20,21/E:(4,5)(10,11)(27,28)/CRV:24.5/rA:28nCCCCCCCONNCOCCCCCCN+OO-NCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s19;s16;s22;s23;s24;s25;s22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19FN4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.6162 |
Area: | 592.853 |
Solvation: | -11.2051 |
Coulombic: | -56.547 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 386.377 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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