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Chemical ID: 4489607

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccccc5Cl

Chemical ID:

4489607

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)[N+](=O)[O-])Cc5ccccc5Cl

InChi [?]:

InChI=1/C25H17ClN2O5/c1-14-9-10-20-18(11-14)23(29)21-22(15-6-4-7-17(12-15)28(31)32)27(25(30)24(21)33-20)13-16-5-2-3-8-19(16)26/h2-12,22H,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,30,19,28,18,20,31,3,4,7,22,26,2,17,27,21,6,32,5,10,16,8,11,13,33,15,23,9,14,24,25,12/E:(31,32)/CRV:28.5/rA:33cCCCCCCCCOCCOCONCCCCCCCN+OO-CCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s15;s26;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₇ClN₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	7.2224
Area:	635.272
Solvation:	-8.6594
Coulombic:	-48.7697

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	460.866
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.96
LogP (Chemaxon):	5.37

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