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Chemical ID: 4674995
Chemical ID:
4674995
Name [?]:
4-phenylazonaphthalen-1-ol
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
InChi Info:
AuxInfo=1/0/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: | C16H12N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14361 |
Area: | 413.238 |
Solvation: | -2.18734 |
Coulombic: | -22.8528 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.279 |
H-Bond Donors: | 1 |
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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