Chemical ID: 5570835

c1ccc(cc1)N=Nc2ccc(c3c2cccc3)[O-]
Chemical ID:
5570835
Name [?]:
4-phenylazonaphthalen-1-olate
SMILES [?]:
c1ccc(cc1)N=Nc2ccc(c3c2cccc3)[O-]
InChi [?]:
InChI=1/C16H12N2O/c19-16-11-10-15(13-8-4-5-9-14(13)16)18-17-12-6-2-1-3-7-12/h1-11,19H/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,3,5,15,18,10,11,4,14,13,9,12,7,8,19/E:(2,3)(6,7)/rA:19nCCCCCCNNCCCCCCCCCCO-/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N2O-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-32.5171
Area:413.238
Solvation:-42.8481
Coulombic:8.85718
Bond Count [?]
All:21
Single:12
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:247.271
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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