Chemical ID: 6527093

CCCCN(C1CCCCC1)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
6527093
Name [?]:
1-butyl-3-(4-chlorophenyl)-1-cyclohexyl-urea
SMILES [?]:
CCCCN(C1CCCCC1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H25ClN2O/c1-2-3-13-20(16-7-5-4-6-8-16)17(21)19-15-11-9-14(18)10-12-15/h9-12,16H,2-8,13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,11,17,19,16,20,4,18,15,6,12,21,14,5,13/E:(5,6)(7,8)(9,10)(11,12)/rA:21nCCCCNCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s5;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25ClN2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.7713
Area:528.377
Solvation:-1.43816
Coulombic:-33.0478
Bond Count [?]
All:22
Single:18
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:308.846
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):4.9

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