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Chemical ID: 7209160

c1cc(ccc1C(=O)N2CC[NH+](CC2)CC3CC4CC3C=C4)[N+](=O)[O-]

Chemical ID:

7209160

Name [?]:

[4-(5-bicyclo[2.2.1]hept-2-enylmethyl)-2,3,5,6-tetrahydropyrazin-1-yl]-(4-nitrophenyl)-methanone

SMILES [?]:

c1cc(ccc1C(=O)N2CC[NH+](CC2)CC3CC4CC3C=C4)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H23N3O3/c23-19(15-3-5-18(6-4-15)22(24)25)21-9-7-20(8-10-21)13-17-12-14-1-2-16(17)11-14/h1-6,14,16-17H,7-13H2/p+1

InChi Info:

AuxInfo=1/1/N:22,21,1,5,2,4,11,13,10,14,19,17,15,18,6,20,16,3,7,12,9,23,8,24,25/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:22.5/rA:25cCCCCCCCONCCN+CCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s16s19;s20;s18d21;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₃O₃₊
All Atoms:	49
Heavy Atoms:	25
Chiral Atoms:	3

ZAP Information [?]

Total:	-26.6976
Area:	547.43
Solvation:	-40.3833
Coulombic:	3.70059

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	342.412
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.01
LogP (Chemaxon):	2.34

Name Annotations

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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