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Chemical ID: 4727804

Chemical ID:

4727804

Name [?]:

(4-morpholino-3-nitro-phenyl)methanol

SMILES [?]:

c1cc(c(cc1CO)[N+](=O)[O-])N2CCOCC2

InChi [?]:

InChI=1/C11H14N2O4/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12/h1-2,7,14H,3-6,8H2

InChi Info:

AuxInfo=1/0/N:1,2,13,17,14,16,5,7,6,3,4,12,9,8,10,11,15/E:(3,4)(5,6)(15,16)/CRV:13.5/rA:17nCCCCCCCON+OO-NCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s4;d9;s9;s3;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄N₂O₄
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	0.247205
Area:	402.863
Solvation:	-9.82437
Coulombic:	-42.0458

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	238.24
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.79
LogP (Chemaxon):	1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value