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Chemical ID: 6667792
Chemical ID:
6667792
Name [?]:
2-amino-5-chloro-N-(2-hydroxyethyl)benzamide
SMILES [?]:
c1cc(c(cc1Cl)C(=O)NCCO)N
InChi [?]:
InChI=1/C9H11ClN2O2/c10-6-1-2-8(11)7(5-6)9(14)12-3-4-13/h1-2,5,13H,3-4,11H2,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,5,6,4,3,8,7,14,10,13,9/rA:14nCCCCCCClCONCCON/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11ClN2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81945 |
Area: | 391.215 |
Solvation: | -2.96093 |
Coulombic: | -55.0313 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 214.649 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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