Chemical ID: 5581637

CCC(c1ccccc1)C(=O)N
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

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Experimental Annotations

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Descriptor Annotations

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