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Chemical ID: 4680029
Chemical ID:
4680029
Name [?]:
9-phenyl-9,10-dihydrophenanthrene
SMILES [?]:
c1ccc(cc1)C2Cc3ccccc3-c4c2cccc4
InChi [?]:
InChI=1/C20H16/c1-2-8-15(9-3-1)20-14-16-10-4-5-11-17(16)18-12-6-7-13-19(18)20/h1-13,20H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,19,18,3,5,10,13,20,17,8,4,9,14,15,16,7/E:(2,3)(8,9)/rA:20cCCCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.78402 |
Area: | 434.982 |
Solvation: | -1.09054 |
Coulombic: | -5.3583 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.341 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.78 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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