Chemical ID: 3968540

CC1CCC(CC1)NC(=O)N(CCCl)N=O
Chemical ID:
3968540
Name [?]:
1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea
SMILES [?]:
CC1CCC(CC1)NC(=O)N(CCCl)N=O
InChi [?]:
InChI=1/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,13,12,2,5,9,14,8,15,11,10,16/E:(2,3)(4,5)/rA:16nCCCCCCCNCONCCClNO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;s13;s11;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18ClN3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.7589
Area:442.371
Solvation:-1.30037
Coulombic:-29.801
Bond Count [?]
All:16
Single:14
Double:2
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.722
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.47
LogP (Chemaxon):2.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue