Chemical ID: 4492438

Cc1ccc(c(c1)NC(=O)NCCN2CCN(CC2)c3ccccc3[N+](=O)[O-])Cl
Chemical ID:
4492438
Name [?]:
1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]urea
SMILES [?]:
Cc1ccc(c(c1)NC(=O)NCCN2CCN(CC2)c3ccccc3[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H24ClN5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.28003
Area:646.482
Solvation:-8.88202
Coulombic:-58.6889
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.889
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.41
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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