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Chemical ID: 7105403
Chemical ID:
7105403
Name [?]:
N-[(3,4-dichlorophenyl)methyl]cycloheptanamine
SMILES [?]:
c1cc(c(cc1CNC2CCCCCC2)Cl)Cl
InChi [?]:
InChI=1/C14H19Cl2N/c15-13-8-7-11(9-14(13)16)10-17-12-5-3-1-2-4-6-12/h7-9,12,17H,1-6,10H2
InChi Info:
AuxInfo=1/0/N:12,13,11,14,10,15,1,2,5,7,6,9,3,4,17,16,8/E:(1,2)(3,4)(5,6)/rA:17nCCCCCCCNCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s9s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19Cl2N |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5992 |
Area: | 462.696 |
Solvation: | -0.968203 |
Coulombic: | -12.1811 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.213 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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