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Chemical ID: 4735659

Chemical ID:

4735659

Name [?]:

2-methyl-1-(3-morpholinopropyl)-5-phenyl-pyrrole-3-carboxylic acid

SMILES [?]:

Cc1c(cc(n1CCCN2CCOCC2)c3ccccc3)C(=O)O

InChi [?]:

InChI=1/C19H24N2O3/c1-15-17(19(22)23)14-18(16-6-3-2-4-7-16)21(15)9-5-8-20-10-12-24-13-11-20/h2-4,6-7,14H,5,8-13H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,8,17,21,9,7,11,15,12,14,4,2,16,3,5,22,10,6,23,24,13/E:(3,4)(6,7)(10,11)(12,13)(22,23)/rA:24nCCCCCNCCCNCCOCCCCCCCCCOO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s5;s16;d17;s18;d19;d16s20;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70313
Area:	540.594
Solvation:	-3.81172
Coulombic:	-47.2891

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	328.406
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.66
LogP (Chemaxon):	-1.63

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