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Chemical ID: 6664739
Chemical ID:
6664739
Name [?]:
3-(5-chloro-2-methyl-phenyl)-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1cc(ccc1C)Cl
InChi [?]:
InChI=1/C14H21ClN2O/c1-4-8-17(9-5-2)14(18)16-13-10-12(15)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,17,2,6,15,14,3,5,12,16,13,11,8,18,10,4,9/E:(1,2)(4,5)(8,9)/rA:18nCCCNCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5303 |
Area: | 480.882 |
Solvation: | -1.49178 |
Coulombic: | -32.0869 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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