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Chemical ID: 5185635
Chemical ID:
5185635
Name [?]:
2-amino-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)N
InChi [?]:
InChI=1/C9H12N2O/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,11,2,6,3,12,5,4/E:(3,4)(5,6)/rA:12cCCCONCCCCCCN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.00996 |
Area: | 335.579 |
Solvation: | -2.37952 |
Coulombic: | -33.1199 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.7 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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