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Chemical ID: 6815692

c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2C(=O)c5ccc(cc5)[N+](=O)[O-]

Chemical ID:

6815692

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2C(=O)c5ccc(cc5)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H19N3O3/c28-24(17-10-12-18(13-11-17)27(29)30)26-15-14-20-19-8-4-5-9-21(19)25-22(20)23(26)16-6-2-1-3-7-16/h1-13,23,25H,14-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,23,27,24,26,17,18,4,22,25,10,9,15,8,7,20,16,19,28,21,29,30/E:(2,3)(6,7)(10,11)(12,13)(29,30)/CRV:27.5/rA:30cCCCCCCCCCCCCCCCNCCNCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉N₃O₃
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	6.08044
Area:	583.834
Solvation:	-8.51541
Coulombic:	-41.8133

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	397.426
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.55
LogP (Chemaxon):	4.92

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