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Chemical ID: 4165099
Chemical ID:
4165099
Name [?]:
None
SMILES [?]:
c1ccc(cc1)Cc2c(c3c4ccccc4ccc3oc2=O)O
InChi [?]:
InChI=1/C20H14O3/c21-19-16(12-13-6-2-1-3-7-13)20(22)23-17-11-10-14-8-4-5-9-15(14)18(17)19/h1-11,21H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,12,17,18,7,4,16,11,8,19,10,9,21,23,22,20/E:(2,3)(6,7)/rA:23nCCCCCCCCCCCCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;d10s18;s19;s8s20;d21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17646 |
Area: | 468.53 |
Solvation: | -2.53679 |
Coulombic: | -38.1176 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 302.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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