Chemical ID: 4165099

c1ccc(cc1)Cc2c(c3c4ccccc4ccc3oc2=O)O
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

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Descriptor Annotations

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