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Chemical ID: 4767465
Chemical ID:
4767465
Name [?]:
(4-phenyl-1-cyclopenta-1,3-dienyl)benzene
SMILES [?]:
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
InChi [?]:
InChI=1/C17H14/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,8,9,11,4,12,7,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)(16,17)/rA:17nCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58896 |
Area: | 421.144 |
Solvation: | -0.939633 |
Coulombic: | -4.92989 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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