Chemical ID: 4527822

COc1cc(cc(c1)OC)C(=O)n2c3ccccc3nn2
Chemical ID:
4527822
Name [?]:
benzotriazol-1-yl-(3,5-dimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)n2c3ccccc3nn2
InChi [?]:
InChI=1/C15H13N3O3/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,16,18,15,4,6,8,5,3,7,19,14,11,20,21,13,12,2,9/E:(1,2)(7,8)(11,12)(20,21)/rA:21nCOCCCCCCOCCONCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.39295
Area:459.786
Solvation:-4.10171
Coulombic:-30.133
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.282
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):2.28

Name Annotations

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Descriptor Annotations

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