Chemical ID: 5212277

CN(C1CCC(CC1)C(=O)O)C(=O)NCCCl
Chemical ID:
5212277
Name [?]:
4-(2-chloroethylcarbamoyl-methyl-amino)cyclohexane-1-carboxylic acid
SMILES [?]:
CN(C1CCC(CC1)C(=O)O)C(=O)NCCCl
InChi [?]:
InChI=1/C11H19ClN2O3/c1-14(11(17)13-7-6-12)9-4-2-8(3-5-9)10(15)16/h8-9H,2-7H2,1H3,(H,13,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,16,15,6,3,9,12,17,14,2,10,11,13/E:(2,3)(4,5)(15,16)/rA:17nCNCCCCCCCOOCONCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s2;d12;s12;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H19ClN2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.49011
Area:463.595
Solvation:-3.09978
Coulombic:-56.3856
Bond Count [?]
All:17
Single:15
Double:2
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:262.733
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.93
LogP (Chemaxon):1.05

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