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Chemical ID: 4927981
Chemical ID:
4927981
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2=NC3c4ccccc4C2O3
InChi [?]:
InChI=1/C15H11NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15(16-13)17-14/h1-9,14-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,11,4,15,10,7,16,9,8,17/E:(2,3)(6,7)/rA:17cCCCCCCCNCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;s9s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.38127 |
Area: | 391.951 |
Solvation: | -2.4175 |
Coulombic: | -17.8674 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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