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Chemical ID: 4772651

Chemical ID:

4772651

Name [?]:

(2-morpholino-5-nitro-phenyl)methanol

SMILES [?]:

c1cc(c(cc1[N+](=O)[O-])CO)N2CCOCC2

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,2,13,17,14,16,5,10,4,6,3,12,7,11,8,9,15/E:(3,4)(5,6)(15,16)/CRV:13.5/rA:17nCCCCCCN+OO-CONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;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:	1.80708
Area:	409.199
Solvation:	-8.42289
Coulombic:	-43.0333

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