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Chemical ID: 3968540
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
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Experimental Annotations
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Descriptor Annotations
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