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Chemical ID: 6935514

CCN(CC)CCCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Chemical ID:

6935514

Name [?]:

4-chloro-N-(3-diethylaminopropyl)-3,5-dinitro-benzamide

SMILES [?]:

CCN(CC)CCCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H19ClN4O5/c1-3-17(4-2)7-5-6-16-14(20)10-8-11(18(21)22)13(15)12(9-10)19(23)24/h8-9H,3-7H2,1-2H3,(H,16,20)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,7,8,6,13,17,12,14,16,15,10,21,9,3,22,18,11,23,24,19,20/E:(1,2)(3,4)(8,9)(11,12)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCNCCCCCNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉ClN₄O₅
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.64026
Area:	582.194
Solvation:	-16.1951
Coulombic:	-39.6932

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	358.777
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	2.64
LogP (Chemaxon):	2.09

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value