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Chemical ID: 7192797

c1ccc(cc1)CCC[NH+]2CC[NH+](CC2)Cc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

7192797

Name [?]:

1-[(4-nitrophenyl)methyl]-4-(3-phenylpropyl)-2,3,5,6-tetrahydropyrazine

SMILES [?]:

c1ccc(cc1)CCC[NH+]2CC[NH+](CC2)Cc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C20H25N3O2/c24-23(25)20-10-8-19(9-11-20)17-22-15-13-21(14-16-22)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+2

InChi Info:

AuxInfo=1/1/N:1,2,6,8,3,5,7,18,22,19,21,9,11,15,12,14,16,4,17,20,10,13,23,24,25/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)(24,25)/CRV:23.5/rA:25nCCCCCCCCCN+CCN+CCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇N₃O₂₊₂
All Atoms:	52
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	-102.413
Area:	584.778
Solvation:	-117.032
Coulombic:	106.148

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	341.447
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.41
LogP (Chemaxon):	4.11

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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