Chemical ID: 7090867

Cc1ccc(cc1)NC2(CCCCC2)C(=O)O
Chemical ID:
7090867
Name [?]:
1-(p-tolylamino)cyclohexane-1-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)NC2(CCCCC2)C(=O)O
InChi [?]:
InChI=1/C14H19NO2/c1-11-5-7-12(8-6-11)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,3,7,4,6,10,14,2,5,15,9,8,16,17/E:(3,4)(5,6)(7,8)(9,10)(16,17)/rA:17nCCCCCCCNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:36
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.33665
Area:403.336
Solvation:-1.74676
Coulombic:-41.1253
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):2.12

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Descriptor Annotations

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