Chemical ID: 4554488

CCCN1CCn2c3ccc(cc3c4c2C1CCC4)Cl
Chemical ID:
4554488
Name [?]:
None
SMILES [?]:
CCCN1CCn2c3ccc(cc3c4c2C1CCC4)Cl
InChi [?]:
InChI=1/C17H21ClN2/c1-2-8-19-9-10-20-15-7-6-12(18)11-14(15)13-4-3-5-16(19)17(13)20/h6-7,11,16H,2-5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,17,10,9,3,5,6,12,11,14,13,8,16,15,20,4,7/rA:20cCCCNCCNCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s4s15;s16;s17;s14s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClN2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:10.1721
Area:463.895
Solvation:-1.42531
Coulombic:-12.5325
Bond Count [?]
All:23
Single:19
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.815
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.02
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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