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Chemical ID: 5212277
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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