Chemical ID: 6678569

CCOc1ccc(c2c1cccc2)N=Nc3ccccc3
Chemical ID:
6678569
Name [?]:
1-ethoxy-4-phenylazo-naphthalene
SMILES [?]:
CCOc1ccc(c2c1cccc2)N=Nc3ccccc3
InChi [?]:
InChI=1/C18H16N2O/c1-2-21-18-13-12-17(15-10-6-7-11-16(15)18)20-19-14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,12,11,17,21,13,10,6,5,16,8,9,7,4,15,14,3/E:(4,5)(8,9)/rA:21nCCOCCCCCCCCCCNNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;w14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.91325
Area:458.183
Solvation:-2.54133
Coulombic:-14.3333
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:276.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):5.44

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Descriptor Annotations

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