Chemical ID: 3963725

c1ccc(cc1)CCCCCCCCCCCC(=O)O
Chemical ID:
3963725
Name [?]:
12-phenyldodecanoic acid
SMILES [?]:
c1ccc(cc1)CCCCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:12,11,13,10,14,9,15,1,8,2,6,16,7,3,5,17,4,18,19,20/E:(10,11)(14,15)(19,20)/rA:20nCCCCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:12.1833
Area:563.812
Solvation:-1.91205
Coulombic:-30.0216
Bond Count [?]
All:20
Single:16
Double:4
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:276.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.74
LogP (Chemaxon):5.64

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Descriptor Annotations

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