Chemical ID: 4087983

c1ccc2c(c1)c(c[nH]2)CNc3ccc(cc3)Br
Chemical ID:
4087983
Name [?]:
4-bromo-N-(1H-indol-3-ylmethyl)aniline
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CNc3ccc(cc3)Br
InChi [?]:
InChI=1/C15H13BrN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,16,13,17,10,8,7,15,12,5,4,18,11,9/E:(5,6)(7,8)/rA:18nCCCCCCCCNCNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.65245
Area:446.413
Solvation:-1.50788
Coulombic:-24.7223
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.181
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.25
LogP (Chemaxon):4.59

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