Chemical ID: 5253007

c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4o3
Chemical ID:
5253007
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4o3
InChi [?]:
InChI=1/C20H12O/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,7,18,8,19,5,17,4,12,9,20,10,11,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:21nCCCCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.97908
Area:424.809
Solvation:-1.64114
Coulombic:-11.7533
Bond Count [?]
All:25
Single:15
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:268.309
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.95
LogP (Chemaxon):6.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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