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Chemical ID: 6468162
Chemical ID:
6468162
Name [?]:
2-phenylchroman
SMILES [?]:
c1ccc(cc1)C2CCc3ccccc3O2
InChi [?]:
InChI=1/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,9,8,4,10,15,7,16/E:(2,3)(6,7)/rA:16cCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s7s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.90232 |
Area: | 386.455 |
Solvation: | -1.75906 |
Coulombic: | -11.2464 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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