Chemical ID: 4953150

c1ccc(cc1)C(=O)C2CCCC2
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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