Chemical ID: 6665179

CCCNC(=O)Nc1ccccc1Cl
Chemical ID:
6665179
Name [?]:
3-(2-chlorophenyl)-1-propyl-urea
SMILES [?]:
CCCNC(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C10H13ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,3,13,8,5,14,4,7,6/rA:14nCCCNCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13ClN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.60757
Area:397.544
Solvation:-1.33103
Coulombic:-36.5567
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.676
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.32
LogP (Chemaxon):2.03

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