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Chemical ID: 5837938
Chemical ID:
5837938
Name [?]:
5-chloro-2-cyclohexylcarbonylamino-benzoic acid
SMILES [?]:
c1cc(c(cc1Cl)C(=O)O)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H16ClNO3/c15-10-6-7-12(11(8-10)14(18)19)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,19,1,2,5,14,6,4,3,12,8,7,11,13,9,10/E:(2,3)(4,5)(18,19)/rA:19nCCCCCCClCOONCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClNO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49042 |
Area: | 460.565 |
Solvation: | -2.0237 |
Coulombic: | -49.1366 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.734 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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