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Chemical ID: 4953150
Chemical ID:
4953150
Name [?]:
cyclopentyl-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)C2CCCC2
InChi [?]:
InChI=1/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,4,9,7,8/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26305 |
Area: | 349.834 |
Solvation: | -1.48279 |
Coulombic: | -10.3806 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 174.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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