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Chemical ID: 4121835
Chemical ID:
4121835
Name [?]:
3-amino-4-morpholino-benzamide
SMILES [?]:
c1cc(c(cc1C(=O)N)N)N2CCOCC2
InChi [?]:
InChI=1/C11H15N3O2/c12-9-7-8(11(13)15)1-2-10(9)14-3-5-16-6-4-14/h1-2,7H,3-6,12H2,(H2,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,5,6,4,3,7,10,9,11,8,14/E:(3,4)(5,6)/rA:16nCCCCCCCONNNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20766 |
Area: | 392.759 |
Solvation: | -3.61131 |
Coulombic: | -56.4489 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.256 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.1 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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