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Chemical ID: 4870536

CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4cccc(c4)[N+](=O)[O-])CCCOC

Chemical ID:

4870536

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4cccc(c4)[N+](=O)[O-])CCCOC

InChi [?]:

InChI=1/C26H25N5O7/c1-4-38-26(34)20-15-19-22(27-21-16(2)8-6-11-30(21)25(19)33)29(12-7-13-37-3)23(20)28-24(32)17-9-5-10-18(14-17)31(35)36/h5-6,8-11,14-15H,4,7,12-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,19,38,2,27,14,35,13,26,28,15,34,36,30,7,12,25,29,8,6,11,9,21,23,17,4,10,22,20,16,31,24,18,5,32,33,37,3/E:(35,36)/CRV:31.5/rA:38nCCOCOCCCCNCCCCCNCOCNCNCOCCCCCCN+OO-CCCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s12;s9;s6s20;w21;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;d31;s31;s20;s34;s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₅O₇
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	7.99913
Area:	730.695
Solvation:	-10.2682
Coulombic:	-82.9057

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	519.506
H-Bond Donors:	0
H-Bond Acceptors:	9
XLogP:	2.19
LogP (Chemaxon):	3.29

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