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Chemical ID: 6910486

CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCC[NH+](C)C)Cl

Chemical ID:

6910486

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCC[NH+](C)C)Cl

InChi [?]:

InChI=1/C24H25ClN2O4/c1-4-30-17-9-6-15(7-10-17)21-20-22(28)18-14-16(25)8-11-19(18)31-23(20)24(29)27(21)13-5-12-26(2)3/h6-11,14,21H,4-5,12-13H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,29,30,2,26,6,8,17,5,9,18,27,25,15,7,16,4,14,19,11,10,12,21,22,31,28,24,13,23,3,20/E:(2,3)(6,7)(9,10)/rA:31cCCOCCCCCCCCCOCCCCCCOCCONCCCN+CCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆ClN₂O₄₊
All Atoms:	57
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	-19.0477
Area:	664.529
Solvation:	-35.6609
Coulombic:	-12.5312

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	441.927
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.59
LogP (Chemaxon):	3.3

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

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

Chemical Mix	Source	External ID	Descriptor	Value