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Chemical ID: 5792767

c1cc(cc(c1)[N+](=O)[O-])NC(=O)CCCCCCCCCCC(=O)Nc2cccc(c2)[N+](=O)[O-]

Chemical ID:

5792767

Name [?]:

N,N'-bis(3-nitrophenyl)dodecanediamide

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])NC(=O)CCCCCCCCCCC(=O)Nc2cccc(c2)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H30N4O6/c29-23(25-19-11-9-13-21(17-19)27(31)32)15-7-5-3-1-2-4-6-8-16-24(30)26-20-12-10-14-22(18-20)28(33)34/h9-14,17-18H,1-8,15-16H2,(H,25,29)(H,26,30)

InChi Info:

AuxInfo=1/1/N:17,18,16,19,15,20,14,21,1,28,2,27,6,29,13,22,4,31,3,26,5,30,11,23,10,25,7,32,12,24,8,9,33,34/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32,33,34)/gE:(1,2)/CRV:27.5,28.5/rA:34nCCCCCCN+OO-NCOCCCCCCCCCCCONCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₄O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	5.55302
Area:	797.489
Solvation:	-14.3842
Coulombic:	-63.9387

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	17
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	470.518
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	5.67
LogP (Chemaxon):	5.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value