Chemical ID: 4436463

c1ccc(c(c1)C(=O)NC2CC2)Br
Chemical ID:
4436463
Name [?]:
2-bromo-N-cyclopropyl-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CC2)Br
InChi [?]:
InChI=1/C10H10BrNO/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,10,5,4,7,13,9,8/E:(5,6)/rA:13nCCCCCCCONCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s10s11;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.37697
Area:361.256
Solvation:-1.65442
Coulombic:-22.6738
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.097
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.77
LogP (Chemaxon):2.13

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