Chemical ID: 4778676

c1ccnc(c1)CNC(=O)CC2(CCCCC2)CC(=O)O
Chemical ID:
4778676
Name [?]:
2-[1-(2-pyridylmethylcarbamoylmethyl)cyclohexyl]acetic acid
SMILES [?]:
c1ccnc(c1)CNC(=O)CC2(CCCCC2)CC(=O)O
InChi [?]:
InChI=1/C16H22N2O3/c19-14(18-12-13-6-2-5-9-17-13)10-16(11-15(20)21)7-3-1-4-8-16/h2,5-6,9H,1,3-4,7-8,10-12H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:15,1,14,16,2,6,13,17,3,11,18,7,5,9,19,12,4,8,10,20,21/E:(3,4)(7,8)(20,21)/rA:21nCCCNCCCNCOCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.28894
Area:490.225
Solvation:-2.96669
Coulombic:-52.024
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.47
LogP (Chemaxon):0.77

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