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Chemical ID: 6233745

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4cccc(c4)[N+](=O)[O-])CC(C)C

Chemical ID:

6233745

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4cccc(c4)[N+](=O)[O-])CC(C)C

InChi [?]:

InChI=1/C25H23N5O6/c1-4-36-25(33)19-13-18-21(26-20-10-5-6-11-28(20)24(18)32)29(14-15(2)3)22(19)27-23(31)16-8-7-9-17(12-16)30(34)35/h5-13,15H,4,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,35,36,2,13,14,26,25,27,12,15,29,7,33,34,24,28,8,6,11,9,20,22,17,4,10,21,16,19,30,23,18,5,31,32,3/E:(2,3)(34,35)/CRV:30.5/rA:36nCCOCOCCCCNCCCCCNCONCNCOCCCCCCN+OO-CCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;d30;s30;s19;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃N₅O₆
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	8.4678
Area:	674.695
Solvation:	-8.39958
Coulombic:	-76.3947

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	489.48
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	2.95
LogP (Chemaxon):	4.15

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