Chemical ID: 3965850

C(CCl)NC(=O)N(CCCl)N=O
Chemical ID:
3965850
Name [?]:
1,3-bis(2-chloroethyl)-1-nitroso-urea
SMILES [?]:
C(CCl)NC(=O)N(CCCl)N=O
InChi [?]:
InChI=1/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChi Info:
AuxInfo=1/1/N:2,9,1,8,5,3,10,4,11,7,6,12/rA:12nCCClNCONCCClNO/rB:s1;s2;s1;s4;d5;s5;s7;s8;s9;s7;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H9Cl2N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:8.17696
Area:397.278
Solvation:-1.75498
Coulombic:-28.7536
Bond Count [?]
All:11
Single:9
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:214.049
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.47
LogP (Chemaxon):1.14

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Descriptor Annotations

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