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Chemical ID: 5571509

Chemical ID:

5571509

Name [?]:

3-(hydroxy-phenyl-amino)-1-tetralin-2-yl-prop-2-en-1-one

SMILES [?]:

c1ccc(cc1)N(C=CC(=O)c2ccc3c(c2)CCCC3)O

InChi [?]:

InChI=1/C19H19NO2/c21-19(12-13-20(22)18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)14-17/h1-3,8-14,22H,4-7H2

InChi Info:

AuxInfo=1/0/N:1,2,6,20,19,21,18,3,5,14,13,9,8,17,15,16,12,4,10,7,11,22/E:(2,3)(8,9)/rA:22nCCCCCCNCCCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;s15s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79193
Area:	490.449
Solvation:	-3.46931
Coulombic:	-23.6013

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	293.36
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.97
LogP (Chemaxon):	4.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value