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Chemical ID: 4686445

Chemical ID:

4686445

Name [?]:

5-morpholino-2-nitro-benzaldehyde

SMILES [?]:

c1cc(c(cc1N2CCOCC2)C=O)[N+](=O)[O-]

InChi [?]:

InChI=1/C11H12N2O4/c14-8-9-7-10(1-2-11(9)13(15)16)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2

InChi Info:

AuxInfo=1/0/N:1,2,8,12,9,11,5,13,4,6,3,7,15,14,16,17,10/E:(3,4)(5,6)(15,16)/CRV:13.5/rA:17nCCCCCCNCCOCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s4;d13;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂N₂O₄
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	2.13509
Area:	401.342
Solvation:	-7.89847
Coulombic:	-33.672

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	236.224
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	1.3
LogP (Chemaxon):	1.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value