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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value