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Chemical ID: 5566352

c1ccc(c(c1)C(=O)NNC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)F

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value