Chemical ID: 5837938

c1cc(c(cc1Cl)C(=O)O)NC(=O)C2CCCCC2
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

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