Chemical ID: 4959843

CCC(c1cccc2c1cccc2)C(=O)O
Chemical ID:
4959843
Name [?]:
2-(1-naphthyl)butanoic acid
SMILES [?]:
CCC(c1cccc2c1cccc2)C(=O)O
InChi [?]:
InChI=1/C14H14O2/c1-2-11(14(15)16)13-9-5-7-10-6-3-4-8-12(10)13/h3-9,11H,2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,6,13,7,10,5,8,3,9,4,14,15,16/E:(15,16)/rA:16cCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.63739
Area:384.134
Solvation:-1.96595
Coulombic:-29.0283
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.26
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.64

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Descriptor Annotations

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