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Chemical ID: 6656573
Chemical ID:
6656573
Name [?]:
2-(2-naphthyl)cyclopentan-1-one
SMILES [?]:
c1ccc2cc(ccc2c1)C3CCCC3=O
InChi [?]:
InChI=1/C15H14O/c16-15-7-3-6-14(15)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,13,10,3,12,14,8,7,5,9,4,6,11,15,16/rA:16cCCCCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s11s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.31471 |
Area: | 384.875 |
Solvation: | -2.30716 |
Coulombic: | -9.20576 |
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: | 3.11 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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