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Chemical ID: 5581637
Chemical ID:
5581637
Name [?]:
2-phenylbutanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N
InChi [?]:
InChI=1/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,3,10,12,11/E:(4,5)(6,7)/rA:12cCCCCCCCCCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.71394 |
Area: | 333.215 |
Solvation: | -1.61643 |
Coulombic: | -27.1582 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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