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Chemical ID: 3967127

Chemical ID:

3967127

Name [?]:

4-dimethylamino-N-[5-(hydroxycarbamoyl)pentyl]benzamide

SMILES [?]:

CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO

InChi [?]:

InChI=1/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,3,15,16,14,17,6,8,5,9,13,7,4,18,10,12,20,2,19,11,21/E:(1,2)(7,8)(9,10)/rA:21nCNCCCCCCCCONCCCCCCONO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₃O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26824
Area:	551.202
Solvation:	-5.51181
Coulombic:	-54.9201

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	293.362
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	1.6
LogP (Chemaxon):	0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value