Chemical ID: 3968101

c1ccc(cc1)CCCC(=O)O
Chemical ID:
3968101
Name [?]:
4-phenylbutanoic acid
SMILES [?]:
c1ccc(cc1)CCCC(=O)O
InChi [?]:
InChI=1/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,9,4,10,11,12/E:(2,3)(5,6)(11,12)/rA:12nCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.83762
Area:350.412
Solvation:-1.92269
Coulombic:-27.4751
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.19
LogP (Chemaxon):2.47

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Descriptor Annotations

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