Chemical ID: 6532659

CN(C)CCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Chemical ID:
6532659
Name [?]:
4-chloro-N-(3-dimethylaminopropyl)-3-nitro-benzamide
SMILES [?]:
CN(C)CCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C12H16ClN3O3/c1-15(2)7-3-6-14-12(17)9-4-5-10(13)11(8-9)16(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,3,5,11,12,6,4,15,10,13,14,8,19,7,2,16,9,17,18/E:(1,2)(18,19)/CRV:16.5/rA:19nCNCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClN3O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.16197
Area:494.745
Solvation:-8.20666
Coulombic:-36.5032
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.727
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.03
LogP (Chemaxon):1.45

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Descriptor Annotations

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