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Chemical ID: 5270940

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)[N+](=O)[O-]

Chemical ID:

5270940

Name [?]:

None

SMILES [?]:

CCN(CC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H25N3O5/c1-3-25(4-2)14-7-15-26-21(16-10-12-17(13-11-16)27(30)31)20-22(28)18-8-5-6-9-19(18)32-23(20)24(26)29/h5-6,8-13,21H,3-4,7,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,16,17,7,15,18,25,29,26,28,6,8,24,27,14,19,11,10,12,21,22,3,9,30,13,23,31,32,20/E:(1,2)(3,4)(10,11)(12,13)(30,31)/CRV:27.5/rA:32cCCNCCCCCNCCCOCCCCCCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	7.57302
Area:	659.429
Solvation:	-8.9127
Coulombic:	-52.2716

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	435.473
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.25
LogP (Chemaxon):	3.33

Name Annotations

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

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