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Chemical ID: 4259130

Chemical ID:

4259130

Name [?]:

2-benzotriazol-2-yl-4-(2-hydroxyethyl)phenol

SMILES [?]:

c1ccc2c(c1)nn(n2)c3cc(ccc3O)CCO

InChi [?]:

InChI=1/C14H13N3O2/c18-8-7-10-5-6-14(19)13(9-10)17-15-11-3-1-2-4-12(11)16-17/h1-6,9,18-19H,7-8H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,13,14,17,18,11,12,5,4,10,15,7,9,8,19,16/E:(1,2)(3,4)(11,12)(15,16)/rA:19nCCCCCCNNNCCCCCCOCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d4s8;s8;s10;d11;s12;d13;d10s14;s15;s12;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃N₃O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.36263
Area:	441.885
Solvation:	-3.68449
Coulombic:	-38.9203

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	255.272
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.14
LogP (Chemaxon):	2.58

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