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Chemical ID: 5607732

CCOc1ccccc1N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5[N+](=O)[O-]

Chemical ID:

5607732

Name [?]:

None

SMILES [?]:

CCOc1ccccc1N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5[N+](=O)[O-]

InChi [?]:

InChI=1/C30H25N3O6/c1-2-39-26-17-6-5-16-25(26)31(28(34)21-12-3-4-15-24(21)33(37)38)18-9-19-32-29(35)22-13-7-10-20-11-8-14-23(27(20)22)30(32)36/h3-8,10-17H,2,9,18-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,33,34,7,6,19,25,12,20,26,32,18,24,35,8,5,11,13,21,31,17,23,36,9,4,22,29,15,27,10,14,37,30,16,28,38,39,3/E:(7,8)(10,11)(13,14)(22,23)(29,30)(35,36)(37,38)/CRV:33.5/rA:39nCCOCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s14s23;d27;s10;d29;s29;s31;d32;s33;d34;d31s35;s36;d37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₅N₃O₆
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	5.7194
Area:	705.668
Solvation:	-11.9223
Coulombic:	-61.4777

Bond Count [?]

All:	43
Single:	28
Double:	15
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	523.536
H-Bond Donors:	0
H-Bond Acceptors:	9
XLogP:	5.79
LogP (Chemaxon):	4.42

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value