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Chemical ID: 5608046
Chemical ID:
5608046
Name [?]:
4-amino-N-(2-hydroxyethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCCO)N
InChi [?]:
InChI=1/C9H12N2O2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6,10H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,11,6,3,7,13,9,12,8/E:(1,2)(3,4)/rA:13nCCCCCCCONCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04497 |
Area: | 363.547 |
Solvation: | -3.0437 |
Coulombic: | -54.7533 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.204 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.1 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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