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Chemical ID: 6668380
Chemical ID:
6668380
Name [?]:
1-[(2-hydroxy-1-naphthyl)-(p-tolyl)methyl]naphthalen-2-ol
SMILES [?]:
Cc1ccc(cc1)C(c2c3ccccc3ccc2O)c4c5ccccc5ccc4O
InChi [?]:
InChI=1/C28H22O2/c1-18-10-12-21(13-11-18)26(27-22-8-4-2-6-19(22)14-16-24(27)29)28-23-9-5-3-7-20(23)15-17-25(28)30/h2-17,26,29-30H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,24,12,23,14,25,11,22,3,7,4,6,16,27,17,28,2,15,26,5,10,21,18,29,8,9,20,19,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(19,20)(22,23)(24,25)(27,28)(29,30)/rA:30nCCCCCCCCCCCCCCCCCCOCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s18;s8;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H22O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8067 |
Area: | 555.812 |
Solvation: | -3.0886 |
Coulombic: | -36.1172 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 390.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 7.18 |
LogP (Chemaxon): | 7.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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