Chemical ID: 5053196

c1cc2c(c[nH]c2c(c1)Cl)CCCN
Chemical ID:
5053196
Name [?]:
3-(7-chloro-1H-indol-3-yl)propan-1-amine
SMILES [?]:
c1cc2c(c[nH]c2c(c1)Cl)CCCN
InChi [?]:
InChI=1/C11H13ClN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2
InChi Info:
AuxInfo=1/0/N:1,12,11,2,9,13,5,4,3,8,7,10,14,6/rA:14nCCCCCNCCCClCCCN/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s8;s4;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13ClN2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.4731
Area:390.438
Solvation:-1.28785
Coulombic:-24.8815
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.687
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.35
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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